SCHEMBL31527273

SCHEMBL31527273

COCOc1cc(Cl)c(C2CC2)c(-c2nc3c4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c2F)N(C(C)c2cccnc2N)CCO3)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 7/20 0.54
MAPK1 P28482 7/20 0.54
KRAS P01116 13/20 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
SCHEMBL31527324 0.92 MAPK3 (0.54) MAPK3MAPK1KRAS
SCHEMBL31527098 0.92 MAPK3 (0.54) MAPK3MAPK1KRAS
SCHEMBL31527333 0.92 MAPK3 (0.54) MAPK3MAPK1KRAS
SCHEMBL31527524 0.92 MAPK3 (0.53) MAPK3MAPK1KRAS
SCHEMBL31527583 0.92 MAPK3 (0.65) MAPK3MAPK1KRAS
SCHEMBL31527060 0.91 MAPK3 (0.56) MAPK3MAPK1KRAS
SCHEMBL29322103 0.89 MAPK3 (0.48) MAPK3MAPK1KRAS
SCHEMBL29322134 0.88 KRAS (0.50) MAPK3MAPK1KRAS
SCHEMBL29321811 0.87 MAPK3 (0.54) MAPK3MAPK1KRAS
SCHEMBL29321789 0.86 MAPK3 (0.47) MAPK3MAPK1KRAS

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-2025076523-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed