SCHEMBL3972657

SCHEMBL3972657

Cc1csc(-c2nc(Nc3cccc(N4CCNCC4)c3)nc3[nH]ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.47
CDK2 P24941 11/20 0.47
CCNT1 O60563 10/20 0.47
CDK9 P50750 10/20 0.47
CDK1 P06493 8/20 0.47
CCNB1 P14635 8/20 0.47
CDK7 P50613 8/20 0.47
CCNH P51946 8/20 0.47
CCNA1 P78396 6/20 0.46
PTK2 Q05397 1/20 0.43
MARK3 P27448 1/20 0.41
CAMK2D Q13557 1/20 0.41
TTK P33981 2/20 0.41
PDPK1 O15530 1/20 0.40
CDK4 P11802 1/20 0.40
CCND3 P30281 1/20 0.40
CDK6 Q00534 1/20 0.40
PAK4 O96013 2/20 0.40
ADRB1 P08588 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
SCHEMBL3970170 0.91 TTK (0.51) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL4078306 0.80 TTK (0.62) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL3970291 0.80 TTK (0.63) PTK2TTK
SCHEMBL3970782 0.80 PLK4 (0.41) CDK2CCNA1PTK2TTKPAK4
SCHEMBL3975392 0.79 PDPK1 (0.43) CDK1PDPK1PAK4
SCHEMBL3971647 0.78 PDPK1 (0.47) CCNA2CDK2CCNA1PTK2TTK
SCHEMBL3974734 0.77 KDR (0.46) CCNA2CDK2CDK1CCNA1PTK2
SCHEMBL13883513 0.77 PDE5A (0.49) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL13883562 0.77 IRAK4 (0.49) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL3970118 0.76 SRC (0.46) PDPK1

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed