SCHEMBL4461387

SCHEMBL4461387

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1C[C@H]2CNC[C@H]2C1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 19/20 0.79
EPHB4 P54760 17/20 0.79
KDR P35968 17/20 0.79
FLT1 P17948 3/20 0.79
ERBB2 P04626 5/20 0.78

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
SCHEMBL4461382 1.00 EPHA2 (0.79) EPHA2EPHB4KDRFLT1ERBB2
SCHEMBL4461385 1.00 EPHA2 (0.79) EPHA2EPHB4KDRFLT1ERBB2
SCHEMBL1225512 0.89 EPHA2 (1.00) EPHA2EPHB4KDRFLT1ERBB2
SCHEMBL1225510 0.89 EPHA2 (1.00) EPHA2EPHB4KDRFLT1ERBB2
SCHEMBL1225511 0.89 EPHA2 (1.00) EPHA2EPHB4KDRFLT1ERBB2
SCHEMBL1793275 0.89 EPHA2 (1.00) EPHA2EPHB4KDRFLT1ERBB2
SCHEMBL907703 0.88 EPHA2 (1.00) EPHA2EPHB4KDRFLT1ERBB2
Hydrochloric Acid SCHEMBL906899 0.88 EPHA2 (0.98) EPHA2EPHB4KDRFLT1ERBB2
Hydrochloric Acid SCHEMBL906902 0.88 EPHA2 (0.98) EPHA2EPHB4KDRFLT1ERBB2
Hydrochloric Acid SCHEMBL906901 0.88 EPHA2 (0.98) EPHA2EPHB4KDRFLT1ERBB2

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed