SCHEMBL31663280

SCHEMBL31663280

Brc1ccc2ncc(NCc3ccc4cc[nH]c4c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.46
ABL1 P00519 1/20 0.41
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
BACE1 P56817 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CYP2A6 P11509 1/20 0.36
NR4A2 P43354 1/20 0.36
NMT1 P30419 1/20 0.36
NLRP3 Q96P20 1/20 0.35
EGFR P00533 1/20 0.35
ESR1 P03372 2/20 0.34
APP P05067 1/20 0.34
NPC1 O15118 1/20 0.34
BCHE P06276 2/20 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
SCHEMBL31663283 0.86 ABL1 (0.44) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31662945 0.86 ABL1 (0.46) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31663182 0.85 PDE10A (0.46) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31662867 0.83 MET (0.47) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31663079 0.83 CCNT1 (0.40) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31663339 0.83 MET (0.53) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31663349 0.83 MEN1 (0.49) ABL1METPDGFRBPDGFRAMEN1
SCHEMBL31663355 0.81 ABL1 (0.44) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31663077 0.81 MET (0.47) ABL1METPDGFRBPDGFRACCNT1
SCHEMBL31663364 0.78 ABL1 (0.41) AHRABL1METPDGFRBPDGFRA

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