SCHEMBL31360488

SCHEMBL31360488

CNS(=O)(=O)c1nccnc1CC#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3670433 0.71 MAPT (0.34) ALDH1A1MAPT
SCHEMBL30468464 0.67 MAPT (0.34) ALDH1A1LMNAMAPTPKMMAPK1
SCHEMBL30736100 0.66 MEN1 (0.36) MAPT
SCHEMBL30736142 0.62 MEN1 (0.33) MAPT
SCHEMBL28462764 0.62 MEN1 (0.30) ALDH1A1
SCHEMBL31445756 0.62 CYP2D6 (0.35) ALDH1A1MAPK1
SCHEMBL30060534 0.61 ADORA3 (0.34) ALDH1A1
SCHEMBL30237701 0.60 P2RX7 (0.43) LMNAMAPT
SCHEMBL9091974 0.60 COMT (0.45) ALDH1A1MAPTRAB9ANPSR1
SCHEMBL30628592 0.60 FTO (0.47) ALDH1A1LMNAMAPTPKMMAPK1

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-119451964-A FGFR2 and FGFR3 inhibitors and uses thereof 英矽智能科技知识产权有限公司 2025-02-14 CN disclosed