SCHEMBL5316079

SCHEMBL5316079

CN(c1ccc2nc(Nc3ccc(CN4CCC(C(=O)O)CC4)cn3)sc2n1)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
DYRK2 Q92630 6/20 0.38
CACNA1G O43497 1/20 0.36
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
ALK Q9UM73 1/20 0.36
LTA4H P09960 1/20 0.36
F10 P00742 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
CCR3 P51677 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35

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
SCHEMBL5315529 0.91 DYRK2 (0.40) CDK4CCND1DYRK2
SCHEMBL5312799 0.89 KDR (0.41) CDK4CCND1DYRK2
SCHEMBL5312932 0.88 KDR (0.42) CDK4CCND1DYRK2LTA4H
SCHEMBL14531377 0.87 DYRK2 (0.40) CDK4CCND1DYRK2
SCHEMBL5311790 0.87 IDO1 (0.40) CDK4CCND1IDO1TDO2DYRK2
SCHEMBL5310039 0.87 FAAH (0.39) CDK4DYRK2
SCHEMBL14531378 0.87 MELK (0.39) CDK4CCND1DYRK2
SCHEMBL5313455 0.87 DYRK2 (0.47) CDK4CCND1DYRK2
SCHEMBL5314116 0.86 DYRK2 (0.39) CDK4CCND1DYRK2
SCHEMBL5311458 0.83 IDO1 (0.43) CDK4CCND1IDO1TDO2DYRK2

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 3 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
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed