SCHEMBL393048

SCHEMBL393048

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N(C)C)c1C=C1C(=O)Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.54
▸ CSF1R P07333 6/20 0.44
▸ NTRK1 P04629 3/20 0.43
▸ FLT3 P36888 4/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ BTK Q06187 1/20 0.41
▸ FLT4 P35916 3/20 0.40
▸ KDR P35968 3/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ LCK P06239 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ DDR2 Q16832 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
SCHEMBL393783 0.96 RET (0.51) RETCSF1RNTRK1FLT3AURKB
SCHEMBL398744 0.94 RET (0.53) RETCSF1RNTRK1FLT3AURKB
SCHEMBL395939 0.90 RET (0.49) RETCSF1RNTRK1FLT3AURKB
SCHEMBL398200 0.89 RET (0.53) RETCSF1RNTRK1FLT3AURKB
SCHEMBL394231 0.87 FLT3 (0.50) NTRK1FLT3AURKBFLT4KDR
SCHEMBL397242 0.86 RET (0.45) RETCSF1RNTRK1FLT3AURKB
SCHEMBL395932 0.86 RET (0.50) RETCSF1RNTRK1FLT3AURKB
SCHEMBL396406 0.83 NTRK1 (0.55) NTRK1FLT3AURKBFLT4KDR
SCHEMBL394110 0.81 FLT3 (0.48) RETCSF1RNTRK1FLT3AURKB
SCHEMBL399058 0.81 FLT3 (0.48) NTRK1FLT3AURKBFLT4KDR

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
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US disclosed
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