SCHEMBL10151674

SCHEMBL10151674

COc1ccc2nc(CF)n(-c3cnc(NC(=O)c4ccncc4C)cn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
LMNA P02545 1/20 0.35
GSK3B P49841 2/20 0.35

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
SCHEMBL646780 0.87 TP53 (0.38) TP53RAB9ANPC1MITFGAA
SCHEMBL10151417 0.82 MAPT (0.38) TP53RAB9ANPC1MAPTMEN1
SCHEMBL10151672 0.82 RAB9A (0.44) RAB9ANPC1MAPTPOLBMEN1
SCHEMBL10151409 0.82 ALDH1A1 (0.40) TP53RAB9ANPC1MITFGAA
SCHEMBL647969 0.80 NPC1 (0.38) TP53RAB9ANPC1MITFGAA
SCHEMBL10151390 0.77 RAB9A (0.42) TP53RAB9ANPC1MITFGAA
SCHEMBL10151385 0.76 NPC1 (0.36) TP53RAB9ANPC1MITFGAA
SCHEMBL13729224 0.74 RAB9A (0.40) TP53RAB9ANPC1MITFGAA
SCHEMBL646756 0.74 EPHX2 (0.36) TP53RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL649242 0.73 RAB9A (0.38) TP53RAB9ANPC1MITFGAA

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