SCHEMBL30148987

SCHEMBL30148987

CSc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cnc(-c3cc(OC4CCCCO4)cc4ccc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)c(F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 19/20 0.36
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
RAF1 P04049 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 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) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL31670180 0.90 KRAS (0.35) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL25309618 0.89 KRAS (0.35) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL30149009 0.89 KRAS (0.35) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL30148998 0.89 KRAS (0.35) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL30959949 0.86 KRAS (0.40) KRAS
SCHEMBL25307042 0.86 KRAS (0.40) KRAS
SCHEMBL30149027 0.83 KRAS (0.39) KRASMAPK3MAPK1RAF1
SCHEMBL30849828 0.82 KRAS (0.36) KRASMAPK3MAPK1RAF1
SCHEMBL30149035 0.82 KRAS (0.36) KRASMAPK3MAPK1RAF1

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