SCHEMBL7976282

SCHEMBL7976282

COc1cccc(-c2cncc(-c3cn(CC(C)N(C)C)c4ccc(C#N)cc34)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
FNTA P49354 9/20 0.39
FNTB P49356 9/20 0.39
PGGT1B P53609 5/20 0.39
KDM1A O60341 2/20 0.39
NR1D1 P20393 2/20 0.38
DGAT2 Q96PD7 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
SCHEMBL7987509 0.90 KDM1A (0.44) FLT1FLT4KDRFNTAFNTB
SCHEMBL7507268 0.88 KDR (0.46) FLT1FLT4KDRFNTAFNTB
SCHEMBL7503782 0.88 KDR (0.41) FLT1FLT4KDRFNTAFNTB
SCHEMBL7990759 0.84 KDR (0.51) KDRFNTAFNTBPGGT1BKDM1A
SCHEMBL7507024 0.83 KDM1A (0.39) FNTAFNTBPGGT1BKDM1ADGAT2
SCHEMBL7506878 0.83 KDR (0.41) FLT1FLT4KDRFNTAFNTB
SCHEMBL7511883 0.81 KDR (0.58) FLT1FLT4KDRKDM1ANR1D1
SCHEMBL7504415 0.80 KDR (0.50) FLT1FLT4KDRFNTAFNTB
SCHEMBL7986885 0.80 KDR (0.51) FLT1FLT4KDR
SCHEMBL7507277 0.79 KDR (0.58) FLT1FLT4KDRNR1D1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed