SCHEMBL26040458

SCHEMBL26040458

COC(=O)c1cc(Br)nc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.46
ABL1 P00519 1/20 0.45
KDM4E B2RXH2 6/20 0.44
POLB P06746 1/20 0.44
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
CFTR P13569 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL110643 0.83 KDM4E (0.53) NQO2ABL1KDM4EPOLBGAA
SCHEMBL29678780 0.83 KDM4E (0.53) NQO2ABL1KDM4EPOLBGAA
SCHEMBL143872 0.83 KDM4E (0.46) NQO2ABL1KDM4EPOLBGAA
SCHEMBL31264183 0.83 KDM4E (0.46) NQO2ABL1KDM4EPOLBGAA
SCHEMBL26040460 0.82 KDM4E (0.54) NQO2ABL1KDM4EPOLBGAA
SCHEMBL31267853 0.82 L3MBTL1 (0.41) NQO2ABL1KDM4EGAAL3MBTL1
SCHEMBL16336369 0.81 ABL1 (0.45) NQO2ABL1KDM4EGAAL3MBTL1
SCHEMBL31364688 0.80 CASP1 (0.41) POLBALDH1A1CASP1
SCHEMBL30067156 0.80 KEAP1 (0.46) KDM4EGAAALDH1A1GLAMAPT
SCHEMBL110319 0.79 MAPT (0.48) ABL1KDM4EPOLBL3MBTL1ALDH1A1

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
WO-2025020886-A1 AZAQUINAZOLINE RING DERIVATIVE AND USE THEREOF 浙江星浩澎博医药有限公司 2025-01-30 WO disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed