SCHEMBL4715500

SCHEMBL4715500

Cc1c[nH]c(-c2cc(NC(=O)Nc3ccc(Oc4ncnc5[nH]cnc45)cc3)cc(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.52
▸ KDR P35968 13/20 0.49
▸ MAPK14 Q16539 8/20 0.49
▸ TNNI3K Q59H18 8/20 0.49
▸ BRAF P15056 6/20 0.49
▸ RAF1 P04049 2/20 0.44
▸ CSF1R P07333 2/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 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
SCHEMBL3253663 0.88 PSEN1 (0.45) FLT3KDRMAPK14TNNI3KBRAF
SCHEMBL3247880 0.87 KDR (0.66) FLT3KDRMAPK14TNNI3KBRAF
SCHEMBL2840607 0.81 KDR (0.56) FLT3KDRMAPK14TNNI3KBRAF
SCHEMBL2850437 0.80 KDR (0.73) FLT3KDRMAPK14TNNI3KBRAF
SCHEMBL3256674 0.77 KDR (0.57) FLT3KDRMAPK14TNNI3KBRAF
SCHEMBL574203 0.73 KIF11 (0.42) KDRRAF1PSEN1PSEN2APH1B
SCHEMBL2845926 0.72 KDR (0.56) FLT3KDRMAPK14TNNI3KBRAF
SCHEMBL2843359 0.70 NR2E1 (0.55) KDRCSF1RPDGFRBKITPDGFRA
SCHEMBL2851874 0.70 SRC (0.67) FLT3KDRMAPK14TNNI3KBRAF
SCHEMBL12999021 0.69 KDR (0.43) FLT3KDRMAPK14TNNI3KBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940844-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-07-09 — — EP claimed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — WO claimed
EP-1940844-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-07-09 — — EP disclosed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — WO disclosed
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