SCHEMBL3247880

SCHEMBL3247880

Cc1c[nH]c(-c2cc(NC(=O)Nc3ccc(Oc4ncnc5[nH]ccc45)cc3)cc(C(F)(F)F)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.66
▸ BRAF P15056 6/20 0.66
▸ MAPK14 Q16539 6/20 0.66
▸ TNNI3K Q59H18 6/20 0.66
▸ FLT3 P36888 7/20 0.56
▸ CSF1R P07333 3/20 0.51
▸ RAF1 P04049 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ CDK8 P49336 2/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ MAP4K2 Q12851 1/20 0.46

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
SCHEMBL3256674 0.90 KDR (0.57) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL4715500 0.87 FLT3 (0.52) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL25405811 0.81 KDR (0.81) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL2845565 0.81 KDR (0.66) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL2848934 0.80 KDR (1.00) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL3253663 0.75 PSEN1 (0.45) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL2846085 0.75 KDR (0.64) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL574203 0.73 KIF11 (0.42) KDRRAF1
SCHEMBL3831817 0.73 KDR (0.77) KDRBRAFMAPK14TNNI3KFLT3
SCHEMBL4716357 0.73 ABL1 (0.51) BRAFMAPK14RAF1MAP3K7MAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 — — WO claimed
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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