SCHEMBL8559746

SCHEMBL8559746

c1ccc(-c2ccc3c(c2)ncn3-c2cccc(-c3ncc[nH]3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
FGFR1 P11362 10/20 0.48
MTOR P42345 1/20 0.47
ADK P55263 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL16148218 0.86 FGFR1 (0.49) KDRFGFR1MTORADKNISCH
SCHEMBL8462814 0.85 FGFR1 (0.41) FGFR1MTORADKNISCHALDH1A1
SCHEMBL12135624 0.80 KDR (0.76) KDRFGFR1HTTALDH1A1
SCHEMBL24900303 0.77 KDR (0.60) KDRFGFR1HTTALDH1A1
SCHEMBL30083763 0.77 KDR (0.60) KDRFGFR1HTTALDH1A1
SCHEMBL4015486 0.76 HTT (0.71) KDRFGFR1HTT
SCHEMBL3644191 0.76 NISCH (0.74) MTORADKNISCHALDH1A1
SCHEMBL2643550 0.76 FGFR1 (0.78) KDRFGFR1HTTALDH1A1
SCHEMBL16147335 0.76 KDM4E (0.47) FGFR1HTTALDH1A1
SCHEMBL7677283 0.75 KDR (0.68) KDRFGFR1HTTALDH1A1

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-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP claimed