Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4445953

N.NC1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(C4CCCC4)n3)nc2)C1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.48
CCND1 P24385 10/20 0.48
CCND3 P30281 5/20 0.48
CCND2 P30279 4/20 0.48
CDK6 Q00534 8/20 0.47
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CDK2 P24941 3/20 0.46
CCNE1 P24864 1/20 0.46
CCNA2 P20248 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
FLT3 P36888 1/20 0.41
CTSC P53634 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40

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 SCHEMBL4343310 0.86 CDK4 (0.38) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4065385 0.84 CDK4 (0.48) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4067659 0.71 CDK2 (0.39) CDK4CCND1CCND3CCND2CDK6
SCHEMBL13812507 0.70 CTSC (0.45) CDK4CCND1CCND3CDK6CDK1
SCHEMBL4073403 0.70 CDK4 (0.54) CDK4CCND1CCND3CCND2CDK6
SCHEMBL1919279 0.70 STK17A (0.49) CDK4CCND1CCND3CCND2CDK1
SCHEMBL4065163 0.69 CDK4 (0.58) CDK4CCND1CCND3CCND2CDK6
Ammonia Solution, Strong SCHEMBL4442788 0.69 CDK4 (0.39) CDK4CCND1CCND3CCND2CDK6
Ammonia Solution, Strong SCHEMBL4336001 0.69 CDK4 (0.39) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4833020 0.69 CDK4 (0.78) CDK4CCND1CCND3CCND2CDK2

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 3 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
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

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 11/4885CCND3 32/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CCND1 66/4885CCND3 103/4885

“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.