SCHEMBL4191373

SCHEMBL4191373

CCCCCn1cc(C)c2cnc(Nc3ccc(N4CCN(CC=O)CC4)cc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 12/20 0.47
CDK4 P11802 11/20 0.47
CCND1 P24385 11/20 0.47
CCND2 P30279 11/20 0.47
NUAK1 O60285 2/20 0.46
MARK3 P27448 1/20 0.46
MARK2 Q7KZI7 1/20 0.46
MARK4 Q96L34 1/20 0.46
NUAK2 Q9H093 1/20 0.46
MARK1 Q9P0L2 1/20 0.46
CSF1R P07333 1/20 0.45
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
WEE1 P30291 5/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
CCNB2 O95067 1/20 0.42

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
SCHEMBL4202387 0.84 STAT6 (0.53) CCND3CDK4CCND1CCND2LCK
SCHEMBL4191368 0.82 CCND3 (0.47) CCND3CDK4CCND1CCND2NUAK1
SCHEMBL4186979 0.82 CDK4 (0.51) CCND3CDK4CCND1CCND2WEE1
SCHEMBL4191957 0.78 CDK4 (0.49) CCND3CDK4CCND1CCND2WEE1
SCHEMBL4195626 0.77 WEE1 (0.48) CCND3CDK4CCND1CCND2WEE1
SCHEMBL4189759 0.76 CDK4 (0.46) CCND3CDK4CCND1CCND2WEE1
SCHEMBL4191584 0.74 CDK4 (0.45) CCND3CDK4CCND1CCND2WEE1
SCHEMBL4191077 0.74 CDK4 (0.44) CCND3CDK4CCND1CCND2WEE1
SCHEMBL4193743 0.73 CDK4 (0.43) CCND3CDK4CCND1CCND2WEE1
SCHEMBL4186974 0.73 CDK4 (0.48) CCND3CDK4CCND1CCND2WEE1

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