SCHEMBL29548354

SCHEMBL29548354

Cc1ccc2c(I)cnn2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ KDR P35968 1/20 0.30

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
SCHEMBL25044276 0.79 — —
SCHEMBL13680762 0.79 EPHB3 (0.42) EPHB3CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL18307739 0.77 EPHB3 (0.39) EPHB3CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL22491181 0.76 AHR (0.33) —
SCHEMBL23104609 0.76 MAPK14 (0.35) MAPK14KDR
SCHEMBL23121172 0.76 EPHB3 (0.46) EPHB3MAPK14KDR
SCHEMBL23089448 0.76 EPHB3 (0.40) EPHB3CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL23425908 0.73 EPHB3 (0.42) EPHB3CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL23109050 0.73 EPHB3 (0.39) EPHB3CSNK1A1CSNK1DCSNK1EMAPK14
SCHEMBL22726968 0.73 MAP4K4 (0.37) —

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-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 — — WO disclosed
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