SCHEMBL8351171

SCHEMBL8351171

Cc1ccc(-c2ccnc(Nc3ccccc3)c2)cc1C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 12/20 0.58
▸ MAPK8 P45983 9/20 0.58
▸ MAPK14 Q16539 3/20 0.52
▸ PIP5K1C O60331 3/20 0.51
▸ PIK3CA P42336 3/20 0.51
▸ HPGD P15428 1/20 0.50
▸ PIP5K1B O14986 1/20 0.49
▸ PIP5K1A Q99755 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMO Q99835 1/20 0.46

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 0.85 MAPK8 (0.54) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL14348419 0.82 ALDH1A1 (0.53) MAPK10MAPK8HPGDALDH1A1MAPT
SCHEMBL8351537 0.82 RXFP1 (0.54) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL8351036 0.82 MAPK8 (0.66) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL8351530 0.81 MAPK10 (0.56) MAPK10MAPK8MAPK14
SCHEMBL8350684 0.80 MAPK8 (0.55) MAPK10MAPK8HPGDALDH1A1MAPT
SCHEMBL14348390 0.80 JAK2 (0.64) MAPK8PIK3CAJAK2
SCHEMBL1518944 0.78 MAPK10 (0.64) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518723 0.78 CNR1 (0.69) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518824 0.78 PIP5K1C (0.68) MAPK10MAPK8MAPK14PIP5K1CPIK3CA

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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