SCHEMBL31473290

SCHEMBL31473290

Cn1ncc2c(=O)n(Nc3ccc(Cl)cc3)cnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTR2C P28335 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
PDE2A O00408 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL31473293 0.88 HAVCR2 (0.51) KMT2AMEN1NPC1TP53ALDH1A1
SCHEMBL31473315 0.87 NPC1 (0.45) TSHRKMT2AMEN1NPC1TP53
SCHEMBL31473303 0.86 MEN1 (0.53) TSHRKMT2AMEN1NPC1TP53
SCHEMBL31473311 0.85 MEN1 (0.49) TSHRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL31473285 0.81 KMT2A (0.47) TSHRKMT2AMEN1NPC1TP53
SCHEMBL31473294 0.79 KDM4E (0.55) KMT2AMEN1TP53ALDH1A1KDM4E
SCHEMBL31473314 0.76 TP53 (0.52) TSHRKMT2AMEN1NPC1TP53
SCHEMBL31473322 0.75 KMT2A (0.47) TSHRKMT2AMEN1NPC1TP53
SCHEMBL31473323 0.75 MEN1 (0.47) TSHRKMT2AMEN1NPC1TP53
SCHEMBL31473316 0.75 KMT2A (0.47) TSHRKMT2AMEN1NPC1TP53

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-119390700-A Pyrazolopyrimidinone derivative containing aniline unit, and preparation method and application thereof 江苏海洋大学 2025-02-07 CN disclosed