SCHEMBL4042755

SCHEMBL4042755

NC(=O)Oc1cc(CNc2ccccc2C(=O)Nc2ccc3cn[nH]c3c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
KIT P10721 9/20 0.50
BRAF P15056 9/20 0.50
KDR P35968 7/20 0.49
FLT1 P17948 3/20 0.49
CFTR P13569 1/20 0.47

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
SCHEMBL4034472 0.92 NPC1 (0.52) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL6543870 0.87 KIT (0.63) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL6624730 0.85 JAK2 (0.61) NPC1RAB9AJAK2JAK1KIT
SCHEMBL3876110 0.85 NPC1 (0.56) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL4034467 0.84 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL4035614 0.83 KIT (0.51) KITBRAFKDRFLT1
SCHEMBL4037571 0.81 KIT (0.50) KITBRAFKDRFLT1
SCHEMBL6612511 0.80 JAK3 (0.53) KITBRAF
SCHEMBL3868951 0.79 JAK2 (0.66) NPC1RAB9AJAK2JAK1KIT
SCHEMBL3869371 0.78 JAK2 (0.66) NPC1RAB9AJAK2JAK1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392680-B1 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 BAYER SCHERING PHARMA AG (DE) 2009-07-22 EP disclosed
EP-1392680-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002090352-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed