SCHEMBL30983136

SCHEMBL30983136

Clc1cc2c(C3CC3)ccc(Br)c2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.35
▸ CYP17A1 P05093 4/20 0.33
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ EGFR P00533 1/20 0.33
▸ GLP1R P43220 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRE P78334 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ GABRG1 Q8N1C3 1/20 0.32

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
SCHEMBL23579469 1.00 CSNK2A1 (0.35) CSNK2A1CYP17A1CHRNB2CHRNA4EGFR
SCHEMBL30616591 0.84 LRRK2 (0.33) CSNK2A1
SCHEMBL29097471 0.84 LRRK2 (0.33) CSNK2A1
SCHEMBL29097460 0.79 LRRK2 (0.33) CSNK2A1
SCHEMBL30616544 0.79 LRRK2 (0.33) CSNK2A1
SCHEMBL23918196 0.75 CHRNB2 (0.37) CYP17A1CHRNB2CHRNA4IGF1R
SCHEMBL23578901 0.73 CSNK2A1 (0.41) CSNK2A1EGFRGABRPGABRDGABRA1
SCHEMBL25442476 0.73 CSNK2A1 (0.38) CSNK2A1EGFRGABRPGABRDGABRA1
SCHEMBL31491877 0.73 CSNK2A1 (0.38) CSNK2A1EGFRGABRPGABRDGABRA1
SCHEMBL23579000 0.73 CSNK2A1 (0.38) CSNK2A1EGFRGABRPGABRDGABRA1

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-2024152986-A1 HETEROARYL AMINO COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京鞍石生物科技有限责任公司 2024-07-25 — — WO disclosed
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