SCHEMBL4975429

SCHEMBL4975429

Cc1nc2cc(NC(=O)c3cccnc3F)ccc2s1.Cc1nc2cc(NC(=O)c3cccnc3NCc3ccnc4[nH]ncc34)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDPK1 O15530 9/20 0.40
KDR P35968 5/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
MAPT P10636 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CIT O14578 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
LCK P06239 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
SCHEMBL4971600 0.95 RAB9A (0.47) TRPV1NPC1RAB9ARXFP1PDPK1
SCHEMBL4969667 0.88 TRPV1 (0.48) TRPV1NPC1RAB9ARXFP1PDPK1
SCHEMBL4979584 0.84 RAB9A (0.47) TRPV1NPC1RAB9ARXFP1PDPK1
SCHEMBL4970699 0.80 TRPV1 (0.60) TRPV1NPC1RAB9ARXFP1CASP3
SCHEMBL1396719 0.77 TRPV1 (0.48) TRPV1NPC1RAB9ARXFP1PDPK1
SCHEMBL4972704 0.77 RAB9A (0.46) TRPV1NPC1RAB9ARXFP1KDR
SCHEMBL4973095 0.76 TRPV1 (0.49) TRPV1NPC1RAB9ARXFP1CASP3
SCHEMBL3961761 0.76 KDR (0.63) TRPV1NPC1RAB9ARXFP1PDPK1
SCHEMBL4971839 0.74 RAB9A (0.45) TRPV1NPC1RAB9ARXFP1KDR
SCHEMBL4978180 0.74 NPC1 (0.47) TRPV1NPC1RAB9ARXFP1PDPK1

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
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed