SCHEMBL31504434

SCHEMBL31504434

N#CC1(NC(=O)c2ccccc2Nc2ccc(OCc3ccccn3)cc2C2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.40
▸ CNR2 P34972 3/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ GPR132 Q9UNW8 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMO Q99835 4/20 0.35
▸ MAPK14 Q16539 3/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MET P08581 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
SCHEMBL21617197 1.00 CTSK (0.40) CTSKCNR2KMT2AFGFR4BRD4
SCHEMBL21617253 0.81 CNR1 (0.42) CNR2HPGD
SCHEMBL31504382 0.81 CNR1 (0.42) CNR2HPGD
SCHEMBL21617254 0.80 FGFR4 (0.38) CNR2KMT2AFGFR4BRD4PARP10
SCHEMBL31504370 0.80 CNR2 (0.42) CNR2KMT2AFGFR4BRD4HPGD
SCHEMBL21617159 0.80 CNR2 (0.42) CNR2KMT2AFGFR4BRD4HPGD
SCHEMBL21617236 0.79 KMT2A (0.38) CNR2KMT2ASMOMAPK14TYK2
SCHEMBL31504454 0.79 KMT2A (0.38) CNR2KMT2ASMOMAPK14TYK2
SCHEMBL23308002 0.77 TYK2 (0.39) CNR2KMT2AGPR132PARP10SMO
SCHEMBL23308016 0.76 CNR2 (0.42) CNR2KMT2AGPR132SMOMAPK14

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-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
Send feedback