SCHEMBL4922619

SCHEMBL4922619

NC(=O)c1ncc(N)n1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 10/20 0.54
▸ KDR P35968 4/20 0.49
▸ EPHA3 P29320 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ RIPK1 Q13546 2/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2335223 0.82 NTRK1 (0.51) NTRK1KDRRIPK1IDH2ALDH1A1
SCHEMBL4260344 0.81 KDR (0.56) NTRK1KDREPHA3EPHB4KIT
SCHEMBL4260345 0.79 KDR (0.49) NTRK1KDRABL1LCKFYN
SCHEMBL9946889 0.77 NTRK1 (0.51) NTRK1KDRABL1LCKFYN
SCHEMBL2333899 0.76 NTRK1 (0.51) NTRK1KDRABL1LCKFYN
SCHEMBL28141722 0.75 NTRK1 (0.49) NTRK1KDRIDH2HCRTR1ALDH1A1
SCHEMBL2336030 0.75 KDR (0.68) NTRK1KDR
SCHEMBL4260680 0.74 KDR (0.52) NTRK1KDRABL1LCKFYN
SCHEMBL4259330 0.74 KDR (0.52) NTRK1KDRABL1LCKFYN
SCHEMBL4260334 0.73 KDR (0.78) NTRK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004631-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES Merck Patent GmbH (DE) 2008-12-24 — — EP disclosed
WO-2007115670-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GMBH (DE) 2007-10-18 — — WO disclosed
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