SCHEMBL6943735

SCHEMBL6943735

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(NCC(F)(F)F)C4)cc3)ncc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.68
CCND1 P24385 19/20 0.68
CCND2 P30279 15/20 0.68
CCND3 P30281 15/20 0.68
CCNA2 P20248 9/20 0.68
CDK2 P24941 9/20 0.68
CCNA1 P78396 5/20 0.68
CCNE2 O96020 4/20 0.68
CCNE1 P24864 4/20 0.68
FGFR1 P11362 4/20 0.68
FGFR2 P21802 4/20 0.68
FGFR4 P22455 4/20 0.68
FGFR3 P22607 4/20 0.68
CCNB2 O95067 3/20 0.68
CDK1 P06493 3/20 0.68
CCNB1 P14635 3/20 0.68
CCNB3 Q8WWL7 3/20 0.68
CDK6 Q00534 1/20 0.54
NUAK1 O60285 1/20 0.53
PDGFRB P09619 1/20 0.53

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
SCHEMBL7071692 0.88 CDK4 (0.68) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL6939340 0.85 CDK4 (0.74) CDK4CCND1CCND2CCND3CCNA2
Trifluoroacetic Acid SCHEMBL7076101 0.83 CDK4 (0.68) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6943064 0.82 CDK4 (0.82) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL6945626 0.81 CDK4 (0.71) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL23823505 0.81 CDK4 (0.75) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL6945910 0.81 CDK4 (1.00) CDK4CCND1CCND2CCND3CCNA2
Hydrochloric Acid SCHEMBL6941086 0.80 CDK4 (0.98) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL6943005 0.80 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNA2
Trifluoroacetic Acid SCHEMBL7076750 0.80 CDK4 (0.86) CDK4CCND1CCND2CCND3CCNA2

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