SCHEMBL31531815

SCHEMBL31531815

CCS(=O)(=O)c1ncc2c3c(c(Br)c(Cl)c2n1)COC3

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
PAX8 Q06710 2/20 0.32
TLR9 Q9NR96 2/20 0.32
AGTR1 P30556 1/20 0.31

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
SCHEMBL33527020 0.76
SCHEMBL31242574 0.65
SCHEMBL24717773 0.64 TP53 (0.38) TP53MAPTSMN1; SMN2THRBMEN1
SCHEMBL30776448 0.64 KDM4E (0.30)
SCHEMBL33525652 0.63
SCHEMBL30776482 0.63 KRAS (0.31)
SCHEMBL27638332 0.61 NPC1 (0.52) TP53MAPTSMN1; SMN2THRBMEN1
SCHEMBL30776355 0.60 ALDH1A1 (0.44) MAPTNPC1
SCHEMBL30776601 0.60 ATR (0.37) NPC1RAB9A
SCHEMBL33526243 0.59

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029167-A Condensed heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2026-05-12 CN disclosed
WO-2025092798-A1 FUSED HETEROARYL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2025-05-08 WO disclosed