SCHEMBL19903871

SCHEMBL19903871

C=CCCc1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 2/20 0.49
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MET P08581 3/20 0.44
CHKA P35790 1/20 0.43

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
SCHEMBL1427396 0.84 DAO (0.53) DAONPC1RAB9APOLBKCNH2
SCHEMBL29723055 0.84 DAO (0.53) DAONPC1RAB9APOLBKCNH2
SCHEMBL9277814 0.83 NPC1 (0.52) DAONPC1RAB9APOLBKCNH2
SCHEMBL5546704 0.81 DAO (0.54) DAONPC1RAB9APOLBKCNH2
SCHEMBL4819797 0.79 PDGFRB (0.47) RAB9AALDH1A1HDAC3MEN1KMT2A
SCHEMBL5540682 0.79 DAO (0.51) DAONPC1RAB9APOLBKCNH2
SCHEMBL2384202 0.78 DAO (0.51) DAONPC1RAB9APOLBKCNH2
SCHEMBL25354572 0.78 DAO (0.57) DAONPC1RAB9APOLBKCNH2
SCHEMBL6961498 0.78 DAO (0.57) DAONPC1RAB9APOLBKCNH2
SCHEMBL2597877 0.78 ALDH1A1 (0.59) DAONPC1RAB9APOLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287449-A2 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME Incyte Holdings Corporation (US) 2018-02-28 EP disclosed