SCHEMBL30070596

SCHEMBL30070596

CNC(=O)c1ccccc1-c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
KMT2A Q03164 1/20 0.62
MKNK1 Q9BUB5 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
NUDT1 P36639 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
PTGS2 P35354 1/20 0.48
NAMPT P43490 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
CHRNB2 P17787 4/20 0.47
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CHRNA4 P43681 4/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL27894364 0.86 MKNK1 (0.56) HTTKMT2AMKNK1MKNK2CYP1A2
SCHEMBL974618 0.85 KMT2A (0.59) HTTKMT2AMKNK1MKNK2ALDH1A1
SCHEMBL4379502 0.83 KMT2A (0.54) HTTKMT2AMKNK1MKNK2ALDH1A1
SCHEMBL3223294 0.83 CHRNB2 (0.65) HTTKMT2AALDH1A1CHRNB2CHRNB4
SCHEMBL9206961 0.81 CYP2A6 (0.53) HTTKMT2AMKNK1MKNK2CYP1A2
SCHEMBL10968862 0.81 HTT (0.54) HTTKMT2AMKNK1MKNK2CYP1A2
SCHEMBL29644805 0.81 KMT2A (0.61) HTTKMT2AALDH1A1KDM4EMAPK1
SCHEMBL30118927 0.81 KMT2A (0.61) HTTKMT2AALDH1A1KDM4EMAPK1
SCHEMBL13435236 0.81 KMT2A (0.61) HTTKMT2AALDH1A1KDM4EMAPK1
SCHEMBL27655231 0.80 KMT2A (0.48) HTTKMT2AMKNK1MKNK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819417-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2023-03-21 CN disclosed
CN-109923114-B Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2022-11-01 CN disclosed