SCHEMBL29014091

SCHEMBL29014091

Cc1cccc(-n2nc(OC(N)=O)cc2O)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.34
ALOX5 P09917 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
SCHEMBL2011053 0.77 MAPT (0.50) IRAK4KDM4ERECQLMAPT
SCHEMBL25336337 0.75 KDM4E (0.52) IRAK4MEN1KMT2AKDM4ERECQL
SCHEMBL29014101 0.73 TGFBR1 (0.43) IRAK4
SCHEMBL27792151 0.73 PARP1 (0.46) MEN1KMT2AKDM4E
SCHEMBL29014094 0.73 TGFBR1 (0.41) IRAK4
SCHEMBL25333352 0.73 RAB9A (0.43) IRAK4MEN1KMT2AKDM4E
SCHEMBL25335649 0.73 CYP1A2 (0.50) MEN1KMT2AMAPT
SCHEMBL2009561 0.71 TGFBR1 (0.51) IRAK4RECQLMAPT
SCHEMBL29425317 0.69 TGFBR1 (0.42) IRAK4MEN1KMT2A
SCHEMBL26352661 0.69 TGFBR1 (0.42) IRAK4MEN1KMT2A

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-116249692-A Pyrazole compound as well as preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-06-09 CN disclosed