SCHEMBL30149035

SCHEMBL30149035

CCCCOC(=O)N1C2CCC1CN(c1nc(S(C)(=O)=O)nc3c(F)c(-c4cc(OC5CCCCO5)cc5ccc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c45)ncc13)C2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.36
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
RAF1 P04049 2/20 0.32

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
SCHEMBL30148982 0.91 KRAS (0.36) KRASMAPK3MAPK1RAF1
SCHEMBL30148987 0.82 KRAS (0.36) KRASMAPK3MAPK1RAF1
SCHEMBL30149131 0.81 GPR119 (0.36) KRASMAPK3MAPK1RAF1
SCHEMBL25437918 0.81 GPR119 (0.36) KRASMAPK3MAPK1RAF1
SCHEMBL30149022 0.81 GPR119 (0.36) KRASMAPK3MAPK1RAF1
SCHEMBL31669685 0.81 GPR119 (0.36) KRASMAPK3MAPK1
SCHEMBL30841170 0.81 GPR119 (0.36) KRASMAPK3MAPK1
SCHEMBL30149087 0.78 KRAS (0.40) KRASMAPK3MAPK1
SCHEMBL30959903 0.77 KRAS (0.40) KRAS
SCHEMBL31441816 0.77 KRAS (0.40) KRAS

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-2022266206-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2022-12-22 WO disclosed