SCHEMBL1693676

SCHEMBL1693676

Nc1nc(-c2ccc(F)c(Cl)c2)nc2sc(-c3ccc(F)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.56
ADORA1 P30542 13/20 0.56
DPP4 P27487 2/20 0.39
EPHB4 P54760 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
DHPS P49366 1/20 0.36

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
SCHEMBL794555 0.81 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL12467229 0.77 ADORA2A (0.38) ADORA2AADORA1EPHB4
SCHEMBL6073609 0.71 EPHB4 (0.47) ADORA2AADORA1DPP4EPHB4
SCHEMBL2253596 0.70 EGFR (0.45) ADORA2AADORA1DPP4EPHB4ABCG2
SCHEMBL656145 0.70 FGFR1 (0.56) ABCG2
SCHEMBL29229255 0.68 TP53 (0.48) EPHB4
SCHEMBL30505593 0.68 TP53 (0.48) EPHB4
SCHEMBL654609 0.67 FGFR1 (0.47) ADORA2AADORA1
SCHEMBL653492 0.67 CSNK2A1 (0.48) ABCG2
SCHEMBL20492668 0.66 FGFR1 (0.45)

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-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed