SCHEMBL8350684

SCHEMBL8350684

Cc1ccc(-c2ccnc(Nc3ccccc3)c2)cc1C(=O)NCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.55
▸ MAPK10 P53779 4/20 0.55
▸ MAPT P10636 1/20 0.52
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL8350880 0.92 MAPK8 (0.54) MAPK8MAPK10MAPTHTTKMT2A
SCHEMBL8349440 0.85 BTK (0.54) MAPTUSP2HTTKMT2A
SCHEMBL14348419 0.83 ALDH1A1 (0.53) MAPK8MAPK10MAPTHTTLMNA
SCHEMBL8351171 0.80 MAPK10 (0.58) MAPK8MAPK10MAPTKMT2AALDH1A1
SCHEMBL8349127 0.77 BTK (0.56) MAPK8
SCHEMBL8351466 0.77 ROCK2 (0.64) MAPK8MAPK10LMNA
SCHEMBL13161966 0.75 USP2 (0.72) USP2HTTKMT2ALMNAALDH1A1
SCHEMBL29437185 0.74 RECQL (0.58) USP2HTTKMT2ALMNAALDH1A1
SCHEMBL21246564 0.74 RECQL (0.58) USP2HTTKMT2ALMNAALDH1A1
SCHEMBL8352104 0.74 CFD (0.59) MAPK8MAPK10HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 — — WO disclosed
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