SCHEMBL5311883

SCHEMBL5311883

CNc1cc(-c2ccc(F)cc2)c2nc(Nc3ccc(CN4CCN(C)CC4)cn3)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.45
CDK6 Q00534 9/20 0.43
CCND3 P30281 8/20 0.43
CCNE2 O96020 2/20 0.43
CDK2 P24941 2/20 0.43
CDK1 P06493 5/20 0.43
CDK4 P11802 5/20 0.43
CCNA2 P20248 2/20 0.43
BTK Q06187 1/20 0.42
DYRK2 Q92630 4/20 0.41
GRM2 Q14416 1/20 0.40
KDR P35968 1/20 0.40
MERTK Q12866 2/20 0.40
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5315552 0.91 BDKRB1 (0.40) CDK6CCND3CDK4BTKDYRK2
SCHEMBL5311867 0.90 MERTK (0.45) TNIKCDK6CCND3CCNE2CDK2
SCHEMBL5312754 0.90 DYRK2 (0.49) CDK6CCND3CDK2CDK4CCNA2
SCHEMBL5333764 0.88 TNIK (0.41) TNIKGRM2KDRMERTK
SCHEMBL5313507 0.81 DYRK2 (0.45) CDK6CCND3CDK2CDK1CDK4
SCHEMBL5315261 0.81 BDKRB1 (0.37) CDK6CCND3CDK2CDK1CDK4
SCHEMBL5333804 0.80 DRD4 (0.40) KDR
SCHEMBL5329735 0.80 TNIK (0.41) TNIKKDRMERTK
SCHEMBL5312320 0.79 KDR (0.49) DYRK2GRM2KDR
SCHEMBL5310432 0.79 KDR (0.49) CDK2CDK1GRM2KDR

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed