SCHEMBL3814909

SCHEMBL3814909

CN1CCN(c2ccc(Nc3ncc4cc[nH]c(=O)c4n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.57
CDK4 P11802 6/20 0.56
CCND1 P24385 6/20 0.56
CCND2 P30279 6/20 0.56
CCND3 P30281 6/20 0.56
CCNE2 O96020 3/20 0.56
CCNA2 P20248 3/20 0.56
CCNE1 P24864 3/20 0.56
CDK2 P24941 3/20 0.56
CCNA1 P78396 3/20 0.56
CCNB2 O95067 2/20 0.56
CDK1 P06493 2/20 0.56
FGFR1 P11362 2/20 0.56
CCNB1 P14635 2/20 0.56
FGFR2 P21802 2/20 0.56
FGFR4 P22455 2/20 0.56
FGFR3 P22607 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
JAK3 P52333 1/20 0.54
JAK2 O60674 2/20 0.54

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
SCHEMBL29813554 0.85 EGFR (0.62) EGFRCDK4CCND1CCND2CCND3
SCHEMBL26061436 0.77 JAK2 (0.58) EGFRCDK4CCND1CCND2CCND3
SCHEMBL17296027 0.77 WEE1 (0.58) EGFRCDK4CCND1CCND2CCND3
SCHEMBL29847961 0.77 EGFR (0.58) EGFRCDK4CCND1CCND2CCND3
SCHEMBL16513792 0.77 EGFR (0.58) EGFRCDK4CCND1CCND2CCND3
SCHEMBL10346428 0.77 CDK4 (0.61) EGFRCDK4CCND1CCND2CCND3
SCHEMBL15212246 0.77 CSF1R (0.55) EGFRCDK4CCND1CCND2CCND3
SCHEMBL3583145 0.76 AURKA (0.64) EGFRCDK4CCND1CCND2CCND3
SCHEMBL3972215 0.76 CDK4 (0.65) EGFRCDK4CCND1CCND2CCND3
SCHEMBL26061435 0.76 ALK (0.64) CDK4CCND1CCNE1CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981886-B1 7H-PYRIDO[3,4-D]PYRIMIDIN-8-ONES, THEIR MANUFACTURE AND USE AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed