SCHEMBL31567775

SCHEMBL31567775

Cc1nc2c(N)c(Br)c(C3CC3)cc2n1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL27163241 0.72 CASR (0.32) KDM4EALDH1A1LMNA
SCHEMBL30045855 0.72 CASR (0.32) KDM4EALDH1A1LMNA
SCHEMBL25680955 0.72 CHRNB2 (0.55) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL30046208 0.69 MBOAT4 (0.33)
SCHEMBL27163240 0.69 MBOAT4 (0.33)
SCHEMBL4664776 0.67 EGFR (0.37) KDM4EALDH1A1LMNA
SCHEMBL30971303 0.67 CSNK2A1 (0.33) KDM4EALDH1A1LMNA
SCHEMBL25105335 0.63 NQO2 (0.41) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL17875680 0.63 EGFR (0.46) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL18398413 0.63 ADORA2A (0.46) CHRNB2CHRNA4KDM4EALDH1A1LMNA

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-2025092986-A1 POLYCYCLIC COMPOUND, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-05-08 WO disclosed