SCHEMBL5312929

SCHEMBL5312929

CN(C)C(=O)N1CCN(Cc2ccc(Nc3nc4ccc(NCc5ccc(F)cc5F)nc4s3)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
BDKRB1 P46663 3/20 0.42
DYRK2 Q92630 5/20 0.39
CDK6 Q00534 2/20 0.39
GPR6 P46095 1/20 0.39
FAAH O00519 1/20 0.38
LTA4H P09960 1/20 0.38
MAP4K4 O95819 1/20 0.38
BRD4 O60885 1/20 0.38
RORC P51449 1/20 0.38
DHODH Q02127 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
PRKAA2 P54646 1/20 0.37

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
SCHEMBL5314669 0.93 BDKRB1 (0.43) KDRBDKRB1DYRK2GPR6FAAH
SCHEMBL5312795 0.91 KDR (0.42) KDRBDKRB1DYRK2FAAHRORC
SCHEMBL5335398 0.91 KDR (0.52) KDRBDKRB1
SCHEMBL5312932 0.85 KDR (0.42) KDRDYRK2CDK6FAAHLTA4H
SCHEMBL5309404 0.83 MEN1 (0.44) KDRDYRK2FAAHPRKAA2
SCHEMBL5379811 0.83 KDR (0.51) KDRBDKRB1
SCHEMBL5336891 0.83 KDR (0.55) KDRMAP4K4
SCHEMBL5311456 0.80 IDO1 (0.44) BDKRB1DYRK2
SCHEMBL5312799 0.78 KDR (0.41) KDRDYRK2CDK6FAAHCDK4
SCHEMBL5310039 0.78 FAAH (0.39) DYRK2CDK6FAAHRORCDHODH

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