SCHEMBL4200637

SCHEMBL4200637

CCOC(OCC)c1cc2cnc(Nc3ccc(N4CCN(CC=O)CC4)cc3)nc2n1C(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.44
CCND1 P24385 8/20 0.44
CCND2 P30279 6/20 0.44
CCND3 P30281 6/20 0.44
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
FGFR1 P11362 3/20 0.44
FGFR2 P21802 2/20 0.44
FGFR4 P22455 2/20 0.44
FGFR3 P22607 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNE1 P24864 1/20 0.44
CCNA1 P78396 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
STAT6 P42226 2/20 0.40
WEE1 P30291 3/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4186974 0.86 CDK4 (0.48) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4200634 0.86 ALK (0.52) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4189759 0.85 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4191949 0.84 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4191075 0.81 CDK4 (0.44) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4191580 0.80 CDK4 (0.42) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4193741 0.78 CDK4 (0.42) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4189214 0.77 JAK3 (0.49) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4191368 0.75 CCND3 (0.47) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4199219 0.75 ALK (0.54) CDK4CCND1CCND2CCND3CCNA2

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