SCHEMBL4200620

SCHEMBL4200620

CCCCCn1ccc2cnc(Nc3ccc(N4CCC(CC=O)CC4)cc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.51
CCND1 P24385 5/20 0.51
CCND2 P30279 5/20 0.51
CCND3 P30281 5/20 0.51
STAT6 P42226 7/20 0.49
AURKA O14965 4/20 0.48
INSR P06213 1/20 0.48
CDK1 P06493 1/20 0.48
PDGFRB P09619 1/20 0.48
SRC P12931 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
CDK7 P50613 1/20 0.48
NTRK2 Q16620 1/20 0.48
FGFR4 P22455 3/20 0.47
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL4189970 0.82 STAT6 (0.65) CDK4CCND1CCND2CCND3STAT6
SCHEMBL4200618 0.82 CDK4 (0.50) CDK4CCND1CCND2CCND3AURKA
SCHEMBL4192080 0.77 CCND3 (0.55) CDK4CCND1CCND2CCND3STAT6
SCHEMBL15163242 0.75 STAT6 (0.67) CDK4CCND1CCND2CCND3STAT6
SCHEMBL3790571 0.73 STAT6 (0.68) CDK4CCND1CCND2CCND3STAT6
SCHEMBL4202387 0.73 STAT6 (0.53) CDK4CCND1CCND2CCND3STAT6
SCHEMBL1284279 0.72 TBK1 (0.70) CDK4CCND1CCND2CCND3STAT6
SCHEMBL27844369 0.72 STAT6 (0.69) CDK4CCND1CCND2CCND3STAT6
SCHEMBL30019212 0.72 STAT6 (0.62) CDK4CCND1CCND2CCND3STAT6
SCHEMBL4191373 0.71 CCND3 (0.47) CDK4CCND1CCND2CCND3CDK1

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