SCHEMBL6687438

SCHEMBL6687438

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc(-c2ncc3sccc3c2N)cc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORB Q92753 3/20 0.33
▸ ALOX5AP P20292 7/20 0.33
▸ FEN1 P39748 7/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ GPR52 Q9Y2T5 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL6387113 0.75 EPHB4 (0.48) KDRLCK
SCHEMBL6646551 0.73 KIT (0.53) PDGFRBKDRRIPK1LCK
SCHEMBL27747320 0.71 MPO (0.39) ALDH1A1GAA
SCHEMBL13372736 0.70 KDR (0.60) PDGFRBKDRLCK
SCHEMBL15404809 0.68 KDR (0.49) PDGFRBKDRRIPK1LCK
SCHEMBL5606524 0.68 CES2 (0.50) MAPK1ALDH1A1
SCHEMBL2999462 0.67 KCNH2 (0.39) ALOX5APFEN1RIPK1
SCHEMBL6646555 0.66 MAPK8 (0.32) L3MBTL1
SCHEMBL27608761 0.64 KIF11 (0.41) MAPK1GPR52RORC
SCHEMBL28217598 0.64 PTGIR (0.46) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 — — EP disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 — — WO disclosed
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