SCHEMBL398744

SCHEMBL398744

CCN(CC)C(C(N)=O)n1c(C)c(C(=O)O)c(C)c1C=C1C(=O)Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.53
▸ CSF1R P07333 6/20 0.43
▸ NTRK1 P04629 3/20 0.42
▸ FLT3 P36888 5/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ BTK Q06187 1/20 0.40
▸ FLT4 P35916 3/20 0.39
▸ KDR P35968 3/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ LCK P06239 3/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK2 Q16620 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
SCHEMBL395939 0.96 RET (0.49) RETCSF1RNTRK1FLT3AURKB
SCHEMBL393048 0.94 RET (0.54) RETCSF1RNTRK1FLT3AURKB
SCHEMBL393783 0.90 RET (0.51) RETCSF1RNTRK1FLT3AURKB
SCHEMBL399058 0.88 FLT3 (0.48) NTRK1FLT3AURKBFLT4KDR
SCHEMBL398200 0.88 RET (0.53) RETCSF1RNTRK1FLT3AURKB
SCHEMBL398145 0.87 RET (0.44) RETNTRK1FLT3AURKBBTK
SCHEMBL394525 0.85 FLT3 (0.51) CSF1RNTRK1FLT3AURKBFLT4
SCHEMBL395932 0.84 RET (0.50) RETCSF1RNTRK1FLT3AURKB
SCHEMBL396850 0.84 NTRK1 (0.53) NTRK1FLT3AURKBFLT4KDR
SCHEMBL393970 0.82 NTRK1 (0.44) RETCSF1RNTRK1FLT3AURKB

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
Send feedback