SCHEMBL31663079

SCHEMBL31663079

c1cc2ccc(CNc3cnc4ccc(C5CC5)cc4n3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
ABL1 P00519 2/20 0.40
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
BACE1 P56817 2/20 0.36
APP P05067 1/20 0.35
PAK4 O96013 1/20 0.34
PAK1 Q13153 1/20 0.34
NLRP3 Q96P20 1/20 0.34
MAPK1 P28482 1/20 0.33
NMT1 P30419 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
F2 P00734 1/20 0.33
P2RX3 P56373 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
SCHEMBL31663280 0.83 AHR (0.46) CCNT1CDK9ABL1METPDGFRB
SCHEMBL31662945 0.83 ABL1 (0.46) CCNT1CDK9ABL1METPDGFRB
SCHEMBL31663283 0.83 ABL1 (0.44) CCNT1CDK9ABL1METPDGFRB
SCHEMBL31663182 0.83 PDE10A (0.46) CCNT1CDK9ABL1METPDGFRB
SCHEMBL31663349 0.80 MEN1 (0.49) ABL1METPDGFRBPDGFRAAPP
SCHEMBL31663339 0.80 MET (0.53) ABL1METPDGFRBPDGFRABACE1
SCHEMBL31662867 0.80 MET (0.47) CCNT1CDK9ABL1METPDGFRB
SCHEMBL31663355 0.79 ABL1 (0.44) CCNT1CDK9ABL1METPDGFRB
SCHEMBL31663077 0.78 MET (0.47) CCNT1CDK9ABL1METPDGFRB
SCHEMBL31663364 0.76 ABL1 (0.41) CCNT1CDK9ABL1METPDGFRB

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