SCHEMBL14254306

SCHEMBL14254306

COc1ccc(-c2ccnc(Nc3cc(C)cc(C)c3)c2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TGFBR1 P36897 3/20 0.42
▸ KDR P35968 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ AGPAT2 O15120 1/20 0.40
▸ MAPK9 P45984 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39

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
SCHEMBL14254293 0.86 MAPK10 (0.57) MAPK10MEN1RAB9AKMT2ANPC1
SCHEMBL14254323 0.82 MAPK10 (0.53) MAPK10MEN1RAB9AKMT2ANPC1
SCHEMBL14254297 0.81 ROCK1 (0.57) MAPK10MEN1RAB9AKMT2ANPC1
SCHEMBL14254299 0.81 MAPK10 (0.52) MAPK10NTRK1SYKMAPK9TNIK
SCHEMBL14254294 0.81 MAPK10 (0.48) MAPK10MEN1KMT2ANTRK1TNIK
SCHEMBL14254295 0.81 EGFR (0.50) MAPK10MEN1KMT2ADYRK1AALDH1A1
SCHEMBL14254303 0.80 EGFR (0.55) MAPK10MEN1KMT2ATGFBR1
SCHEMBL14254290 0.80 ALDH1A1 (0.48) MAPK10MEN1RAB9AKMT2ANPC1
SCHEMBL14253965 0.79 PIK3CG (0.55) MEN1RAB9AKMT2ANPC1SYK
SCHEMBL14254300 0.78 MAPK10 (0.51) MAPK10MEN1RAB9AKMT2ANPC1

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
US-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 — — US disclosed
US-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 — — US disclosed
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