SCHEMBL31663355

SCHEMBL31663355

Cc1ccc2nc(NCc3ccc4cc[nH]c4c3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
P2RX3 P56373 1/20 0.43
P2RX2 Q9UBL9 1/20 0.43
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
NMT1 P30419 1/20 0.38
BACE1 P56817 2/20 0.38
F2 P00734 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37

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 0.95 ABL1 (0.44) ABL1P2RX3P2RX2METPDGFRB
SCHEMBL31663182 0.85 PDE10A (0.46) ABL1METPDGFRBPDGFRACCNT1
SCHEMBL31662945 0.84 ABL1 (0.46) ABL1P2RX3P2RX2METPDGFRB
SCHEMBL31663280 0.81 AHR (0.46) ABL1METPDGFRBPDGFRACCNT1
SCHEMBL31662867 0.81 MET (0.47) ABL1P2RX3P2RX2METPDGFRB
SCHEMBL31663349 0.81 MEN1 (0.49) ABL1METPDGFRBPDGFRAMEN1
SCHEMBL31663079 0.79 CCNT1 (0.40) ABL1P2RX3P2RX2METPDGFRB
SCHEMBL31663339 0.79 MET (0.53) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31663364 0.78 ABL1 (0.41) ABL1P2RX3P2RX2METPDGFRB
SCHEMBL31662920 0.76 PDE10A (0.46) ABL1PDGFRBPDGFRANMT1F2

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