SCHEMBL9903598

SCHEMBL9903598

CN1CCC(Oc2ccc(NC(=O)Nc3ccc(Nc4ncnc5[nH]ccc(=O)c45)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 7/20 0.52
▸ RAF1 P04049 3/20 0.52
▸ ARAF P10398 3/20 0.52
▸ KDR P35968 9/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ MAPK14 Q16539 1/20 0.49
▸ ABL1 P00519 1/20 0.43
▸ EGFR P00533 3/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT1 P17948 1/20 0.40

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
SCHEMBL3763784 0.85 KDR (0.47) BRAFRAF1KDREGFRNTRK1
SCHEMBL3767003 0.82 BRAF (0.42) BRAFRAF1ARAFKDRFGFR1
SCHEMBL3763732 0.80 NTRK1 (0.43) BRAFRAF1KDRMAPK14EGFR
SCHEMBL9903084 0.80 BRAF (0.58) BRAFRAF1KDRMAPK14EGFR
SCHEMBL3767827 0.79 CDK8 (0.50) KDRABL1NTRK1NTRK3NTRK2
SCHEMBL3762266 0.79 KIT (0.62) BRAFRAF1KDRNTRK1NTRK3
SCHEMBL3831499 0.78 KDR (0.51) BRAFRAF1ARAFKDRFGFR1
SCHEMBL9946550 0.76 NTRK1 (0.39) BRAFRAF1KDREGFRERBB2
SCHEMBL4933246 0.75 KDR (0.63) BRAFRAF1ARAFKDRFGFR1
SCHEMBL3768545 0.74 BRAF (0.51) BRAFRAF1KDRMAPK14NTRK1

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-1809629-B1 N,N'-diphenyl urea derivatives suitable for the treatment of tumours, eye diseases, inflammation and diseases of the immune system MERCK PATENT GMBH (DE) 2012-06-13 — — EP claimed
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