SCHEMBL8350880

SCHEMBL8350880

Cc1ccc(-c2ccnc(Nc3ccccc3)c2)cc1C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 7/20 0.54
▸ MAPK10 P53779 7/20 0.54
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44

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
SCHEMBL8350684 0.92 MAPK8 (0.55) MAPK8MAPK10MAPTHTTKMT2A
SCHEMBL14348419 0.89 ALDH1A1 (0.53) MAPK8MAPK10MAPTSMN1; SMN2HTT
SCHEMBL8351171 0.85 MAPK10 (0.58) MAPK8MAPK10MAPTMEN1KMT2A
SCHEMBL8351466 0.84 ROCK2 (0.64) MAPK8MAPK10MAPK1POLBROCK2
SCHEMBL8349127 0.82 BTK (0.56) MAPK8GSK3BPRKCDPIK3CAJAK2
SCHEMBL8352104 0.81 CFD (0.59) MAPK8MAPK10SMN1; SMN2HTTROCK2
SCHEMBL12391553 0.81 HTT (0.59) SMN1; SMN2MAPK1HTTMEN1KMT2A
SCHEMBL8351537 0.78 RXFP1 (0.54) MAPK8MAPK10MAPTHTTKMT2A
SCHEMBL1519014 0.77 SMN1; SMN2 (0.60) MAPK8MAPK10SMN1; SMN2MAPK1HTT
SCHEMBL8349440 0.76 BTK (0.54) MAPTHTTKMT2APRKCGPRKCD

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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