SCHEMBL395938

SCHEMBL395938

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(NC(=O)Nc4cccc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)c4)ccc32)c1C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.63
PRKAA1 Q13131 10/20 0.61
FLT3 P36888 2/20 0.59
PRKAA2 P54646 9/20 0.59
KDR P35968 6/20 0.59
NTRK2 Q16620 1/20 0.58
PDGFRB P09619 2/20 0.57
FGFR1 P11362 2/20 0.57
EGFR P00533 1/20 0.57
KIT P10721 1/20 0.57
NEK2 P51955 1/20 0.57
MELK Q14680 1/20 0.57
AURKB Q96GD4 1/20 0.57
RET P07949 1/20 0.55

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
SCHEMBL10091878 1.00 CSF1R (0.63) CSF1RPRKAA1FLT3PRKAA2KDR
SCHEMBL10091874 0.96 PRKAA1 (0.66) CSF1RPRKAA1FLT3PRKAA2KDR
SCHEMBL398743 0.96 PRKAA1 (0.66) CSF1RPRKAA1FLT3PRKAA2KDR
SCHEMBL10091883 0.94 NTRK2 (0.64) CSF1RPRKAA1FLT3PRKAA2KDR
SCHEMBL393782 0.94 NTRK2 (0.64) CSF1RPRKAA1FLT3PRKAA2KDR
SCHEMBL10091885 0.91 FLT3 (0.63) CSF1RFLT3KDRNTRK2PDGFRB
SCHEMBL395931 0.91 FLT3 (0.63) CSF1RFLT3KDRNTRK2PDGFRB
SCHEMBL10091865 0.89 NTRK2 (0.61) CSF1RPRKAA1FLT3PRKAA2KDR
SCHEMBL393047 0.89 NTRK2 (0.61) CSF1RPRKAA1FLT3PRKAA2KDR
SCHEMBL4136312 0.89 FLT3 (0.65) CSF1RFLT3KDRNTRK2PDGFRB

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