SCHEMBL31663364

SCHEMBL31663364

Clc1ccc2ncc(NCc3ccc4cc[nH]c4c3)nc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
MET P08581 1/20 0.40
BACE1 P56817 3/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
F2 P00734 1/20 0.35
NLRP3 Q96P20 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
METTL3 Q86U44 1/20 0.35
METTL14 Q9HCE5 1/20 0.35
CLK1 P49759 2/20 0.34
CLK2 P49760 2/20 0.34
DYRK1A Q13627 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
APP P05067 1/20 0.34
NMT1 P30419 1/20 0.34

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
SCHEMBL31663009 0.83 BACE1 (0.47) ABL1METBACE1CCNT1CDK9
SCHEMBL31663287 0.82 MET (0.43) ABL1METBACE1CCNT1CDK9
SCHEMBL31662995 0.82 MET (0.43) ABL1METBACE1CCNT1CDK9
SCHEMBL31663071 0.82 FYN (0.43) ABL1METBACE1CCNT1CDK9
SCHEMBL31663019 0.81 ABL1 (0.39) ABL1METBACE1CCNT1CDK9
SCHEMBL31663058 0.81 MET (0.42) ABL1METBACE1CCNT1CDK9
SCHEMBL31663091 0.81 ROCK2 (0.39) ABL1METCCNT1CDK9PDGFRB
SCHEMBL31662873 0.80 ABL1 (0.43) ABL1METBACE1CCNT1CDK9
SCHEMBL31662905 0.80 ABL1 (0.39) ABL1METBACE1CCNT1CDK9
SCHEMBL31663182 0.80 PDE10A (0.46) ABL1METBACE1CCNT1CDK9

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-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed