SCHEMBL8349000

SCHEMBL8349000

O=C(NCc1cc(F)ccc1F)c1cccc(-c2ccnc(Nc3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.48
▸ MAPK8 P45983 4/20 0.48
▸ AURKA O14965 1/20 0.47
▸ GRK2 P25098 5/20 0.46
▸ ROCK2 O75116 2/20 0.44
▸ PRKCA P17252 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ PIP5K1C O60331 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DDR1 Q08345 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ FES P07332 1/20 0.42
▸ RET P07949 1/20 0.42

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
SCHEMBL8349425 0.85 ABL1 (0.53) MAPK10MAPK8PRKCAJAK2PRKCG
SCHEMBL8352104 0.83 CFD (0.59) MAPK10MAPK8AURKAGRK2ROCK2
SCHEMBL8350912 0.82 CSNK1D (0.53) MAPK10MAPK8ROCK1JAK2MAP4K4
SCHEMBL8352106 0.81 SMN1; SMN2 (0.52) MAPK10MAPK8GRK2ROCK2PRKCA
SCHEMBL8351088 0.79 ALDH1A1 (0.62) MAPK10MAPK8ALDH1A1
SCHEMBL8351021 0.78 HPGD (0.56) MAPK10MAPK8ALDH1A1LMNA
SCHEMBL1518861 0.75 MAPK1 (0.54) MAPK10MAPK8ROCK2PIP5K1CPIK3CA
SCHEMBL8352200 0.74 MEN1 (0.60) MAPK10MAPK8ROCK2PIP5K1CPIK3CA
SCHEMBL14254327 0.74 MAPK8 (0.59) MAPK10MAPK8PIP5K1CPIK3CAROCK1
SCHEMBL8351466 0.73 ROCK2 (0.64) MAPK10MAPK8ROCK2ROCK1LMNA

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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