SCHEMBL4200629

SCHEMBL4200629

CCCCCn1c(C(OCC)OCC)cc2cnc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
FGFR1 P11362 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
HSP90B1 P14625 1/20 0.31
SIK1 P57059 2/20 0.31
SIK2 Q9H0K1 2/20 0.31

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
SCHEMBL2724579 0.81 MTNR1A (0.35) FGFR1
SCHEMBL19336275 0.79 STK17B (0.47)
SCHEMBL30292479 0.78 DCTPP1 (0.40) CCNE2CCNE1CDK2
SCHEMBL4196176 0.78 ENPP2 (0.39) HSP90B1PDE4B
SCHEMBL4200625 0.76 KDM4E (0.31)
SCHEMBL4201281 0.75 CCR9 (0.39) CCNB2CCNE2CDK1FGFR1CDK4
SCHEMBL20127004 0.75
SCHEMBL30661265 0.74 TSHR (0.31)
SCHEMBL19301812 0.74 STK17B (0.34)
SCHEMBL29651155 0.74 MAT2A (0.33) CDK4CCND1CCND2CCND3

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