SCHEMBL31521802

SCHEMBL31521802

Cc1c(Br)cccc1-n1cnc2cc(CO)cc(C#N)c21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.37
EGFR P00533 2/20 0.35
ERBB2 P04626 1/20 0.35
HCAR1 Q9BXC0 2/20 0.32
BTK Q06187 1/20 0.31
DPP4 P27487 1/20 0.30
ADORA2A P29274 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL22307199 0.67 PDCD1 (0.45)
SCHEMBL22308215 0.67 EGFR (0.33) NSD2EGFRERBB2ADORA2A
SCHEMBL29372980 0.67 PDCD1 (0.45)
SCHEMBL30522700 0.67 PDCD1 (0.35) NSD2EGFRERBB2ADORA2A
SCHEMBL29473089 0.67 EGFR (0.33) NSD2EGFRERBB2ADORA2A
SCHEMBL28486432 0.67 PDCD1 (0.35) NSD2EGFRERBB2ADORA2A
SCHEMBL31521787 0.67 HPGD (0.41) HCAR1
SCHEMBL23726028 0.64 JAK2 (0.39) BTK
SCHEMBL31220245 0.63 NSD2 (0.34) NSD2
SCHEMBL25171876 0.63 NSD2 (0.34) NSD2

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
CN-113365995-B Immunomodulators, compositions and methods thereof 贝达药业股份有限公司 2025-03-04 CN disclosed