Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4336001

N.NC1CCN(c2ccc(Nc3ncc(I)c(C4CCCC4)n3)nc2Cl)C1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.39
CCND1 P24385 6/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CDK2 P24941 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK6 Q00534 7/20 0.38
CCND3 P30281 3/20 0.36
CCND2 P30279 2/20 0.36
CTSC P53634 1/20 0.36
HRH4 Q9H3N8 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL4442788 0.89 CDK4 (0.39) CDK4CCND1CDK1CCNB1CDK2
Ammonia Solution, Strong SCHEMBL4343310 0.85 CDK4 (0.38) CDK4CCND1CDK1CCNB1CDK2
SCHEMBL4065104 0.84 SYK (0.41) CDK4CCND1CDK1CCNB1CDK2
SCHEMBL4067594 0.77 AURKA (0.43) CDK4CCND1CDK1CCNB1CDK2
SCHEMBL4067659 0.73 CDK2 (0.39) CDK4CCND1CDK1CCNB1CDK2
Ammonia Solution, Strong SCHEMBL4445953 0.69 CDK4 (0.48) CDK4CCND1CDK1CCNB1CDK2
SCHEMBL4336005 0.68 PTPN11 (0.35) HRH4PIM1PIM3PIM2
SCHEMBL6086893 0.61 CDK4 (0.75) CDK4CCND1CDK1CCNB1CDK2
SCHEMBL4442794 0.60 PTPN11 (0.35) HRH4
SCHEMBL1421267 0.59 ROCK2 (0.44) HRH4PIM1PIM3PIM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US claimed
WO-2009014642-A1 COMBINATION OF A DE NOVO PURINE BIOSYNTHESIS INHIBITOR AND A CYCLIN DEPENDENT KINASE INHIBITOR FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-01-29 WO disclosed
US-20090030005-A1 Combinations for the treatment of cancer AMGEN INC. (US) 2009-01-29 US disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI CDK4 1/4885CCND1 11/4885CDK1 5/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CCND1 66/4885CDK1 16/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.