SCHEMBL8352104

SCHEMBL8352104

O=C(NCc1ccccc1)c1cccc(-c2ccnc(Nc3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.59
▸ EPHX2 P34913 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.57
▸ MAPK8 P45983 3/20 0.57
▸ MAPK10 P53779 3/20 0.57
▸ JAK2 O60674 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ CHEK2 O96017 1/20 0.55
▸ PRKCG P05129 1/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ FES P07332 1/20 0.55
▸ RET P07949 1/20 0.55
▸ ROS1 P08922 1/20 0.55
▸ FER P16591 1/20 0.55
▸ FLT1 P17948 1/20 0.55
▸ AXL P30530 1/20 0.55
▸ FLT4 P35916 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ MAPK9 P45984 1/20 0.55

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
SCHEMBL8351466 0.89 ROCK2 (0.64) EPHX2NR1H4MAPK8MAPK10MAP4K4
SCHEMBL8350912 0.87 CSNK1D (0.53) CFDEPHX2NR1H4MAPK8MAPK10
SCHEMBL8351088 0.86 ALDH1A1 (0.62) MAPK8MAPK10HTTSMN1; SMN2
SCHEMBL8351021 0.85 HPGD (0.56) MAPK8MAPK10LMNAHTTSMN1; SMN2
SCHEMBL8352106 0.84 SMN1; SMN2 (0.52) MAPK8MAPK10JAK2ROCK1ROCK2
SCHEMBL8349000 0.83 MAPK10 (0.48) EPHX2NR1H4MAPK8MAPK10JAK2
SCHEMBL8352521 0.82 ABL1 (0.58) CFDEPHX2NR1H4MAPK8MAPK10
SCHEMBL8350880 0.81 MAPK8 (0.54) MAPK8MAPK10JAK2MAP4K4PRKCG
SCHEMBL8352200 0.81 MEN1 (0.60) MAPK8MAPK10ROCK1ROCK2HDAC6
SCHEMBL14254327 0.80 MAPK8 (0.59) MAPK8MAPK10ROCK1

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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