SCHEMBL3256674

SCHEMBL3256674

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.57
▸ MAPK14 Q16539 3/20 0.57
▸ BRAF P15056 2/20 0.57
▸ TNNI3K Q59H18 2/20 0.57
▸ CSF1R P07333 2/20 0.49
▸ MAP3K7 O43318 3/20 0.49
▸ MAP4K2 Q12851 3/20 0.49
▸ MET P08581 3/20 0.48
▸ FLT3 P36888 4/20 0.46
▸ TRPA1 O75762 2/20 0.42
▸ TTBK1 Q5TCY1 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
SCHEMBL3247880 0.90 KDR (0.66) KDRMAPK14BRAFTNNI3KCSF1R
SCHEMBL2847430 0.82 MAP4K2 (0.58) KDRMAPK14BRAFTNNI3KCSF1R
SCHEMBL2842603 0.81 KDR (0.78) KDRMAPK14BRAFTNNI3KCSF1R
SCHEMBL4714607 0.81 MAP3K7 (0.39) KDRMAPK14BRAFTNNI3KMAP3K7
SCHEMBL4718589 0.80 BRAF (0.47) BRAFCSF1R
SCHEMBL4715500 0.77 FLT3 (0.52) KDRMAPK14BRAFTNNI3KCSF1R
SCHEMBL25405811 0.76 KDR (0.81) KDRMAPK14BRAFTNNI3KCSF1R
SCHEMBL4418714 0.75 MAPK14 (0.45) KDRMAPK14BRAFCSF1R
SCHEMBL3253663 0.75 PSEN1 (0.45) KDRMAPK14BRAFTNNI3KCSF1R
SCHEMBL4716357 0.74 ABL1 (0.51) MAPK14BRAFMAP3K7MAP4K2

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
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 disclosed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — WO disclosed
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