SCHEMBL10151672

SCHEMBL10151672

COc1ccc2nc(CF)n(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
BRPF1 P55201 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
IL2 P60568 2/20 0.38
MET P08581 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
RORC P51449 1/20 0.38
PPARG P37231 2/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL646105 0.86 RAB9A (0.43) RAB9ANPC1CYP1A2BRPF1MEN1
SCHEMBL10151679 0.83 STIM1 (0.37) RAB9ANPC1MEN1KMT2A
SCHEMBL13108669 0.83 MEN1 (0.40) RAB9ANPC1CYP1A2MEN1KMT2A
SCHEMBL10151674 0.82 TP53 (0.38) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL10151409 0.82 ALDH1A1 (0.40) RAB9ANPC1KDM4EPOLBPPARG
SCHEMBL3103400 0.81 RAB9A (0.45) RAB9ANPC1CYP1A2BRPF1MEN1
SCHEMBL3104227 0.80 RAB9A (0.44) RAB9ANPC1CYP1A2BRPF1MEN1
SCHEMBL647154 0.79 RAB9A (0.43) RAB9ANPC1CYP1A2BRPF1MEN1
SCHEMBL10151390 0.78 RAB9A (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL8069094 0.77 STIM1 (0.43) RAB9ANPC1CYP1A2BRPF1MEN1

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
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed