SCHEMBL30002195

SCHEMBL30002195

Cc1c(C(N)=O)c(=O)c2ccccc2n1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HTT P42858 2/20 0.61
CYP2C19 P33261 2/20 0.61
HSD17B10 Q99714 2/20 0.61
GLA P06280 1/20 0.61
GAA P10253 1/20 0.61
HPGD P15428 1/20 0.61
EGFR P00533 4/20 0.56
SRC P12931 2/20 0.56
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
NQO2 P16083 1/20 0.44
NTRK1 P04629 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29414698 0.88 EGFR (0.66) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL6671401 0.88 EGFR (0.66) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL10085033 0.81 MAPT (0.47) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL29372620 0.81 EGFR (0.54) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL30002016 0.77 AXL (0.52) KDM4EALDH1A1CYP2C19HSD17B10HPGD
SCHEMBL984736 0.76 EGFR (0.65) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL7278316 0.76 EGFR (0.65) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL30443220 0.76 EGFR (0.65) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL28794033 0.76 KDM4E (0.64) KDM4EALDH1A1HTTCYP2C19HSD17B10
SCHEMBL10518625 0.75 KDM4E (0.68) KDM4EALDH1A1HTTCYP2C19HSD17B10

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
WO-2022253283-A1 PROTEIN KINASE DEGRADANT AND USE THEREOF 中国科学院上海有机化学研究所 2022-12-08 WO disclosed