SCHEMBL30452728

SCHEMBL30452728

Cc1ccc(-n2cccc(N)c2=O)nn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.36
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16794599 1.00 TYK2 (0.36) TYK2MAPTKDM4EMEN1TDP2
SCHEMBL29868212 0.81 ALDH1A1 (0.43) TYK2MAPTKDM4EALDH1A1HSD17B10
SCHEMBL23327205 0.81 ALDH1A1 (0.43) TYK2MAPTKDM4EALDH1A1HSD17B10
SCHEMBL20688028 0.78 TYK2 (0.50) TYK2MAPT
SCHEMBL29903145 0.77 RECQL (0.46) KDM4EALDH1A1
SCHEMBL16812415 0.77 RECQL (0.46) KDM4EALDH1A1
SCHEMBL20689571 0.77 TYK2 (0.50) TYK2MAPTKDM4EMEN1ALDH1A1
SCHEMBL23753623 0.76 NOS3 (0.39) TYK2ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL16812404 0.76 AURKA (0.33)
SCHEMBL16812345 0.76 GABRA5 (0.33)

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-115916207-A Five-membered and six-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 轶诺(浙江)药业有限公司 2023-04-04 CN disclosed