SCHEMBL31364671

SCHEMBL31364671

CC(C)(CNc1ncnc2c(Cl)nc(Br)cc12)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
EGFR P00533 6/20 0.33
AURKA O14965 6/20 0.33
RPS6KB1 P23443 6/20 0.33
AURKB Q96GD4 2/20 0.33
PDE5A O76074 5/20 0.32
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
CCNC P24863 1/20 0.30
HTT P42858 1/20 0.30
CDK8 P49336 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
SCHEMBL31364618 0.89 JAK2 (0.47) JAK2JAK1EGFRPDE5ACLK1
SCHEMBL31364639 0.85 AURKA (0.37) JAK2JAK1EGFRAURKARPS6KB1
SCHEMBL31364650 0.77 JAK2 (0.48) JAK2JAK1EGFRPDE5ACLK1
SCHEMBL31364657 0.77 AURKA (0.40) EGFRAURKARPS6KB1AURKBDYRK1A
SCHEMBL31364649 0.74 JAK2 (0.46) JAK2JAK1EGFRAURKARPS6KB1
SCHEMBL31364640 0.66 AURKA (0.42) JAK2JAK1EGFRAURKARPS6KB1
SCHEMBL19762902 0.65 JAK2 (0.47) JAK2JAK1EGFRAURKARPS6KB1
SCHEMBL31364636 0.65 ALDH1A1 (0.30)
SCHEMBL31364613 0.64 JAK2 (0.43) JAK2JAK1EGFRPDE5ACLK1
SCHEMBL31364674 0.64 GRM4 (0.39) JAK2JAK1EGFR

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