SCHEMBL31364640

SCHEMBL31364640

CC(C)(C)CNc1ncnc2c(Cl)nc(NC(=O)OC(C)(C)C)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.42
RPS6KB1 P23443 5/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
EGFR P00533 4/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ATR Q13535 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAP4K4 O95819 1/20 0.34
SYK P43405 1/20 0.34
SCN9A Q15858 1/20 0.34
CDK1 P06493 1/20 0.34
SRC P12931 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31364657 0.90 AURKA (0.40) AURKARPS6KB1EGFRGSK3BDYRK1A
SCHEMBL31364650 0.79 JAK2 (0.48) JAK2JAK1EGFRDYRK1A
SCHEMBL31364618 0.75 JAK2 (0.47) JAK2JAK1EGFRDYRK1A
SCHEMBL31364649 0.74 JAK2 (0.46) AURKARPS6KB1JAK2JAK1EGFR
SCHEMBL20520009 0.69 GSK3B (0.47) EGFRGSK3BDYRK1AATRSTK17B
SCHEMBL21397386 0.69 LCK (0.43) GSK3BDYRK1AATRSTK17BSTK17A
SCHEMBL29891274 0.69 LCK (0.43) GSK3BDYRK1AATRSTK17BSTK17A
SCHEMBL18805591 0.68 ATR (0.45) EGFRGSK3BDYRK1AATRAURKB
SCHEMBL29400652 0.68 ATR (0.45) EGFRGSK3BDYRK1AATRAURKB
SCHEMBL20350467 0.68 LCK (0.50) GSK3BDYRK1AATRSCN9A

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-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