SCHEMBL4189759

SCHEMBL4189759

CCCCCn1c(C(OCC)OCC)cc2cnc(Nc3ccc(N4CCN(CC=O)CC4)cc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.46
CCND1 P24385 8/20 0.46
CCND2 P30279 8/20 0.46
CCND3 P30281 8/20 0.46
WEE1 P30291 2/20 0.43
PAK4 O96013 1/20 0.43
PAK1 Q13153 1/20 0.43
PKN1 Q16512 1/20 0.43
JAK3 P52333 9/20 0.43
CCNB2 O95067 2/20 0.41
CCNE2 O96020 2/20 0.41
CDK1 P06493 2/20 0.41
FGFR1 P11362 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNA2 P20248 2/20 0.41
FGFR2 P21802 2/20 0.41
FGFR4 P22455 2/20 0.41
FGFR3 P22607 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41

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
SCHEMBL4186979 0.86 CDK4 (0.51) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4200637 0.85 CDK4 (0.44) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4191957 0.84 CDK4 (0.49) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4195626 0.83 WEE1 (0.48) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4191077 0.81 CDK4 (0.44) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4191584 0.80 CDK4 (0.45) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4193743 0.78 CDK4 (0.43) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4202387 0.77 STAT6 (0.53) CDK4CCND1CCND2CCND3JAK3
SCHEMBL4191373 0.76 CCND3 (0.47) CDK4CCND1CCND2CCND3WEE1
SCHEMBL4186974 0.74 CDK4 (0.48) CDK4CCND1CCND2CCND3WEE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed