SCHEMBL8351537

SCHEMBL8351537

Cc1ccc(-c2ccnc(Nc3ccccc3)c2)cc1C(=O)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MAPK10 P53779 7/20 0.51
▸ MAPK8 P45983 6/20 0.51
▸ MAPK14 Q16539 3/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PIP5K1C O60331 2/20 0.48
▸ PIK3CA P42336 2/20 0.48
▸ PIP5K1B O14986 1/20 0.48
▸ PIP5K1A Q99755 1/20 0.48
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 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
SCHEMBL8351193 0.85 MAPK10 (0.54) RXFP1MAPTNPC1RAB9AMAPK10
SCHEMBL14348392 0.83 CAMKK2 (0.60) RXFP1MAPTNPC1RAB9ATP53
SCHEMBL8351171 0.82 MAPK10 (0.58) MAPTMAPK10MAPK8MAPK14KMT2A
SCHEMBL8351530 0.80 MAPK10 (0.56) MAPK10MAPK8MAPK14
SCHEMBL8350880 0.78 MAPK8 (0.54) MAPTMAPK10MAPK8MAPK14HTT
SCHEMBL8349130 0.76 MAPK14 (0.52) RXFP1MAPTNPC1RAB9AMAPK14
SCHEMBL14348419 0.76 ALDH1A1 (0.53) MAPTNPC1RAB9ATP53MAPK10
SCHEMBL1518956 0.76 MAPK10 (0.78) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL8350684 0.73 MAPK8 (0.55) MAPTMAPK10MAPK8HTTKMT2A
SCHEMBL3233742 0.72 RXFP1 (0.58) RXFP1MAPTNPC1RAB9A

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
Send feedback