SCHEMBL4189970

SCHEMBL4189970

CCCCCn1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 7/20 0.65
CDK4 P11802 6/20 0.56
CCND1 P24385 6/20 0.56
CCNA2 P20248 5/20 0.56
CDK2 P24941 5/20 0.56
FGFR1 P11362 3/20 0.52
FGFR2 P21802 3/20 0.52
FGFR4 P22455 3/20 0.52
FGFR3 P22607 3/20 0.52
CCND2 P30279 3/20 0.52
CCND3 P30281 3/20 0.52
CCNE2 O96020 2/20 0.52
CCNE1 P24864 2/20 0.52
CCNA1 P78396 2/20 0.52
FLT3 P36888 1/20 0.52
JAK2 O60674 5/20 0.51
BRD4 O60885 5/20 0.51
JAK1 P23458 2/20 0.51
BRD2 P25440 2/20 0.51
JAK3 P52333 2/20 0.51

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
SCHEMBL4200620 0.82 CDK4 (0.51) STAT6CDK4CCND1CDK2FGFR4
SCHEMBL4189887 0.82 CDK4 (0.54) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL4192080 0.80 CCND3 (0.55) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL15163242 0.80 STAT6 (0.67) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL4342366 0.80 CDK4 (0.60) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL11977047 0.79 CDK4 (0.62) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL3790571 0.78 STAT6 (0.68) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL4191050 0.77 CDK4 (0.50) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL27844369 0.77 STAT6 (0.69) STAT6CDK4CCND1CCNA2CDK2
SCHEMBL16570745 0.77 STAT6 (0.57) STAT6CDK4CCND1CCNA2CDK2

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