SCHEMBL26319508

SCHEMBL26319508

Oc1nc(OCC23CCCN2C[C@H](F)C3)nc2c(F)c(Br)c(Cl)c(F)c12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 19/20 0.45
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL25401732 1.00 KRAS (0.45) KRASMAPK3MAPK1
SCHEMBL26598263 0.87 KRAS (0.45) KRASMAPK3MAPK1
SCHEMBL26118890 0.86 KRAS (0.44) KRASMAPK3MAPK1
SCHEMBL31242650 0.86 KRAS (0.44) KRASMAPK3MAPK1
SCHEMBL31123134 0.85 KRAS (0.43) KRASMAPK3MAPK1
SCHEMBL25402473 0.84 KRAS (0.43) KRASMAPK3MAPK1
SCHEMBL25402469 0.84 KRAS (0.43) KRASMAPK3MAPK1
SCHEMBL25402622 0.83 KRAS (0.41) KRAS
SCHEMBL25402626 0.83 KRAS (0.41) KRAS
SCHEMBL25402547 0.83 KRAS (0.39) KRASMAPK3MAPK1

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-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed