SCHEMBL31663077

SCHEMBL31663077

c1cc2ccc(CNc3cnc4ccc(N5CCCCC5)cc4n3)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.47
MAP4K4 O95819 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
TERT O14746 2/20 0.40
ABL1 P00519 3/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
NTRK1 P04629 1/20 0.36
YES1 P07947 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK1 P28482 1/20 0.36
KDR P35968 1/20 0.36
HIPK1 Q86Z02 1/20 0.36
IP6K1 Q92551 2/20 0.36
KIT P10721 1/20 0.36
SYK P43405 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL31663058 0.83 MET (0.42) METMAP4K4ABL1CCNT1CDK9
SCHEMBL31662995 0.82 MET (0.43) METMAP4K4ABL1CCNT1CDK9
SCHEMBL31662945 0.81 ABL1 (0.46) METABL1CCNT1CDK9P2RX3
SCHEMBL31663280 0.81 AHR (0.46) METABL1CCNT1CDK9PDGFRB
SCHEMBL31663283 0.81 ABL1 (0.44) METABL1CCNT1CDK9P2RX3
SCHEMBL31663182 0.80 PDE10A (0.46) METABL1CCNT1CDK9PDGFRB
SCHEMBL31663287 0.80 MET (0.43) METMAP4K4ABL1CCNT1CDK9
SCHEMBL31663339 0.78 MET (0.53) METABL1PDGFRBPDGFRA
SCHEMBL31662867 0.78 MET (0.47) METABL1CCNT1CDK9P2RX3
SCHEMBL31663349 0.78 MEN1 (0.49) METABL1MAPK1KDRKIT

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