SCHEMBL28625656

SCHEMBL28625656

NC(=O)N1Cc2nc[nH]c2C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
GDA Q9Y2T3 1/20 0.35
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34
HTR2C P28335 1/20 0.34
AKT1 P31749 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ENPP2 Q13822 1/20 0.31
SCN9A Q15858 1/20 0.30
PARP1 P09874 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
SCHEMBL31595886 0.85 NAMPT (0.37) NAMPTGDAHTR2CAKT1ENPP2
SCHEMBL30141445 0.84 NAMPT (0.38) NAMPTMMP8MMP3HTR2CAKT1
SCHEMBL29959822 0.78 NAMPT (0.35) NAMPTMMP8MMP3HTR2CAKT1
SCHEMBL17373227 0.74 NR1H2 (0.40) PARP1
SCHEMBL29640086 0.72 HDAC2 (0.40) CCNA2CDK2CCNA1PARP1
SCHEMBL13505458 0.72 NAMPT (0.48) NAMPTHTR2CAKT1ENPP2SCN9A
SCHEMBL1994788 0.72 NAMPT (0.38) NAMPTHTR2CAKT1ENPP2SCN9A
SCHEMBL12934637 0.71 NAMPT (0.45) NAMPTHTR2CAKT1ENPP2SCN9A
SCHEMBL24229770 0.71 NAMPT (0.47) NAMPTHTR2CAKT1ENPP2SCN9A
SCHEMBL11518308 0.71 TMPRSS2 (0.42) NAMPTHTR2CAKT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3932919-B1 JAK INHIBITOR COMPOUND AND USE THEREOF HENAN MEDINNO PHARMACEUTICAL TECH CO LTD (CN) 2024-06-26 EP claimed
CN-119591604-A JAK inhibitor compounds and uses thereof 迈英诺医药科技(珠海)有限公司 2025-03-11 CN disclosed
WO-2025036296-A1 JAK INHIBITOR COMPOUND AND USE THEREOF 迈英诺医药科技(珠海)有限公司 2025-02-20 WO disclosed
CN-117343063-A Compounds as TRK inhibitors and/or RET inhibitors and uses thereof 河南迈英诺医药科技有限公司 2024-01-05 CN disclosed
CN-111606908-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-08-24 CN disclosed