SCHEMBL5312932

SCHEMBL5312932

CN(C)C(=O)N1CCN(Cc2ccc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
DYRK2 Q92630 6/20 0.39
CDK6 Q00534 4/20 0.39
FAAH O00519 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
PRKAA2 P54646 3/20 0.37
LTA4H P09960 1/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL5312799 0.93 KDR (0.41) KDRDYRK2CDK6FAAHCDK4
SCHEMBL5310039 0.93 FAAH (0.39) DYRK2CDK6FAAHCDK4PRKAA2
SCHEMBL14531377 0.90 DYRK2 (0.40) DYRK2CDK6CDK4CCND1
SCHEMBL5335400 0.90 KDR (0.53) KDR
SCHEMBL5314116 0.89 DYRK2 (0.39) DYRK2CDK6CDK4CCND1
SCHEMBL5316079 0.88 CDK4 (0.40) DYRK2CDK4CCND1LTA4H
SCHEMBL5315529 0.88 DYRK2 (0.40) KDRDYRK2CDK6CDK4CCND1
SCHEMBL5313455 0.88 DYRK2 (0.47) DYRK2CDK6CDK4CCND1
SCHEMBL5312929 0.85 KDR (0.42) KDRDYRK2CDK6FAAHMAP4K4
SCHEMBL5314163 0.84 KDR (0.43) KDRDYRK2CDK6FAAHCDK4

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