Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6938645

Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12.O=C(O)C(F)(F)F

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.86
CCND1 P24385 20/20 0.86
CCND2 P30279 20/20 0.86
CCND3 P30281 20/20 0.86
NUAK1 O60285 2/20 0.86
FGFR1 P11362 1/20 0.86
FGFR2 P21802 1/20 0.86
FGFR4 P22455 1/20 0.86
FGFR3 P22607 1/20 0.86
MARK3 P27448 1/20 0.71
MARK2 Q7KZI7 1/20 0.71
MARK4 Q96L34 1/20 0.71
NUAK2 Q9H093 1/20 0.71
MARK1 Q9P0L2 1/20 0.71
CCNB2 O95067 1/20 0.71
CDK1 P06493 1/20 0.71
CCNB1 P14635 1/20 0.71
CCNB3 Q8WWL7 1/20 0.71

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
SCHEMBL6944231 0.93 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7071397 0.92 CDK4 (0.98) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL6943491 0.91 CDK4 (0.86) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL7070982 0.90 CDK4 (0.72) CDK4CCND1CCND2CCND3NUAK1
Hydrochloric Acid SCHEMBL6938660 0.90 CDK4 (0.98) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL6942948 0.89 CDK4 (0.77) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL6944821 0.89 CDK4 (0.87) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL7074140 0.88 CDK4 (0.75) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL6940672 0.88 CDK4 (0.86) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL6942641 0.87 CDK4 (0.90) CDK4CCND1CCND2CCND3NUAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP claimed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO claimed
EP-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP disclosed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO disclosed