SCHEMBL31442144

SCHEMBL31442144

O=C1NCc2ccc(Nc3nc(Nc4ccc5c(c4)CCNC5)ncc3Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.53
ALK Q9UM73 1/20 0.53
WEE1 P30291 7/20 0.52
AXL P30530 9/20 0.50
TYRO3 Q06418 9/20 0.50
MERTK Q12866 9/20 0.50
BTK Q06187 1/20 0.49
IGF1R P08069 1/20 0.47
BPTF Q12830 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
SCHEMBL31442105 0.94 WEE1 (0.52) METALKWEE1AXLTYRO3
SCHEMBL26624018 0.82 MET (0.53) METALKWEE1AXLTYRO3
SCHEMBL31442100 0.81 AXL (0.53) METALKWEE1AXLTYRO3
SCHEMBL31248082 0.81 ROCK1 (0.61) METALKWEE1TYRO3BTK
SCHEMBL30642937 0.80 WEE1 (0.52) METALKWEE1AXLTYRO3
SCHEMBL26624006 0.80 WEE1 (0.52) METALKWEE1AXLTYRO3
SCHEMBL31442262 0.80 INSR (0.54) METALKWEE1AXLTYRO3
SCHEMBL31442236 0.80 PDGFRA (0.52) METALKWEE1AXLTYRO3
SCHEMBL31442083 0.80 ROCK1 (0.62) METALKWEE1AXLTYRO3
SCHEMBL31441943 0.79 BTK (0.56) AXLTYRO3MERTKBTKBPTF

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