SCHEMBL3478403

SCHEMBL3478403

Fc1ccc(-c2c(-c3ccncc3)nc3sc(N4CCC(N5CCCC5)CC4)nn23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 5/20 0.66
HRH3 Q9Y5N1 8/20 0.50
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
FGFR1 P11362 1/20 0.43
FRK P42685 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK1G2 P78368 1/20 0.43
PRKCD Q05655 1/20 0.43
ERBB4 Q15303 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
CSNK1G3 Q9Y6M4 1/20 0.43
MAPK13 O15264 4/20 0.42

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
SCHEMBL3478399 1.00 CSNK1E (0.66) CSNK1EHRH3PRKD3MAP4K4FGFR1
SCHEMBL3476211 0.83 CSNK1E (0.49) CSNK1EPRKD3MAP4K4FGFR1FRK
SCHEMBL3476214 0.83 CSNK1E (0.49) CSNK1EPRKD3MAP4K4FGFR1FRK
SCHEMBL3478564 0.80 MAPK14 (0.46) CSNK1EPRKD3MAP4K4FGFR1FRK
SCHEMBL3476466 0.80 PRKD3 (0.44) CSNK1EPRKD3MAP4K4FGFR1FRK
SCHEMBL3476467 0.80 PRKD3 (0.44) CSNK1EPRKD3MAP4K4FGFR1FRK
SCHEMBL3119337 0.79 CSNK1E (1.00) CSNK1ECSNK1D
SCHEMBL13072854 0.78 CSNK1E (0.66) CSNK1EPRKD3MAP4K4FGFR1FRK
SCHEMBL17976955 0.76 CSNK1E (0.93) CSNK1ECSNK1D
SCHEMBL3106595 0.75 CSNK1E (0.91) CSNK1ECSNK1D

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-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed