SCHEMBL3399494

SCHEMBL3399494

Cc1cccc(N(C(N)=O)c2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.54
▸ ABL1 P00519 8/20 0.50
▸ BCR P11274 8/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ PDPK1 O15530 5/20 0.48
▸ AURKA O14965 3/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ PLK4 O00444 2/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ LCK P06239 2/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ KIT P10721 2/20 0.44
▸ FLT1 P17948 2/20 0.44
▸ FLT4 P35916 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ NTRK2 Q16620 2/20 0.44
▸ MARK2 Q7KZI7 2/20 0.44
▸ CHEK2 O96017 1/20 0.44

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
SCHEMBL27636404 0.88 JAK2 (0.65) KDRABL1BCRJAK2PDPK1
SCHEMBL27636557 0.85 FGFR2 (0.51) KDRABL1BCRJAK2PDPK1
SCHEMBL4739562 0.85 KDR (0.74) KDRABL1BCRJAK2AURKA
SCHEMBL27657351 0.84 KDR (0.61) KDRABL1BCRJAK2PDPK1
SCHEMBL4491663 0.78 PDPK1 (0.71) KDRABL1BCRJAK2PDPK1
SCHEMBL4606083 0.74 PARP1 (0.52) JAK2
SCHEMBL423310 0.74 KDR (0.73) KDRABL1JAK2AURKAAURKB
SCHEMBL366746 0.73 PARP1 (0.47) JAK2
SCHEMBL6479941 0.73 JAK2 (0.72) KDRABL1BCRJAK2PDPK1
SCHEMBL4739859 0.72 KDR (0.63) KDRABL1BCRJAK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 — — EP disclosed
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