SCHEMBL31442105

SCHEMBL31442105

O=C1NCc2cc(Nc3nc(Nc4ccc5c(c4)CCNC5)ncc3Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.52
MET P08581 1/20 0.51
ALK Q9UM73 1/20 0.51
AXL P30530 9/20 0.50
TYRO3 Q06418 9/20 0.50
MERTK Q12866 9/20 0.50
BTK Q06187 1/20 0.49
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
IGF1R P08069 1/20 0.47
BPTF Q12830 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47

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
SCHEMBL31442144 0.94 MET (0.53) WEE1METALKAXLTYRO3
SCHEMBL31442100 0.83 AXL (0.53) WEE1METALKAXLTYRO3
SCHEMBL26624006 0.82 WEE1 (0.52) WEE1METALKAXLTYRO3
SCHEMBL30642937 0.82 WEE1 (0.52) WEE1METALKAXLTYRO3
SCHEMBL26624018 0.80 MET (0.53) WEE1METALKAXLTYRO3
SCHEMBL31442262 0.80 INSR (0.54) WEE1METALKAXLTYRO3
SCHEMBL31442083 0.80 ROCK1 (0.62) WEE1METALKAXLTYRO3
SCHEMBL31442236 0.80 PDGFRA (0.52) WEE1METALKAXLTYRO3
SCHEMBL31441943 0.79 BTK (0.56) AXLTYRO3MERTKBTKBPTF
SCHEMBL30642959 0.77 BTK (0.50) WEE1METALKAXLTYRO3

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-2025063645-A1 NOVEL COMPOUND HAVING INHIBITORY ACTIVITY AGAINST HPK1 AND MLK3, AND ANTICANCER COMPOSITION CONTAINING SAME (주)엠디바이오팜 2025-03-27 WO disclosed