SCHEMBL24554221

SCHEMBL24554221

Fc1ccc(-c2nn3c(c2-c2ccnc(C(F)F)c2)CNCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.40
THRB P10828 1/20 0.38
MAPK14 Q16539 4/20 0.36
CSNK1A1 P48729 1/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL29683210 1.00 CSNK1D (0.40) CSNK1DTHRBMAPK14CSNK1A1TLR9
SCHEMBL29683181 0.85 ADORA2A (0.42) CSNK1DTHRBMAPK14TLR9TLR8
SCHEMBL24553831 0.85 TLR9 (0.46) THRBMAPK14TLR9TLR8TLR7
SCHEMBL24553883 0.85 ADORA2A (0.42) CSNK1DTHRBMAPK14TLR9TLR8
SCHEMBL24554419 0.83 ADORA2A (0.43) CSNK1DTHRBMAPK14ADORA2AADORA2B
SCHEMBL29683052 0.83 ADORA2A (0.43) CSNK1DTHRBMAPK14ADORA2AADORA2B
SCHEMBL26645677 0.82 ADORA2A (0.44) CSNK1DTHRBMAPK14ADORA2A
SCHEMBL24554415 0.82 MAPK14 (0.53) CSNK1DTHRBMAPK14CSNK1A1ADORA2A
SCHEMBL29683384 0.81 CSNK1D (0.37) CSNK1DTHRBMAPK14ADORA2AADORA2B
SCHEMBL24554297 0.81 CSNK1D (0.37) CSNK1DTHRBMAPK14ADORA2AADORA2B

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-2022127756-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2022-06-23 WO disclosed