SCHEMBL29863172

SCHEMBL29863172

CC(=O)N[C@@H]1CCN(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)nc(C)nc3cn2)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 20/20 0.56
KRAS P01116 6/20 0.54

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
SCHEMBL28884282 1.00 SOS1 (0.56) SOS1KRAS
SCHEMBL23259912 1.00 SOS1 (0.56) SOS1KRAS
SCHEMBL29863213 0.89 SOS1 (0.58) SOS1KRAS
SCHEMBL23247358 0.89 SOS1 (0.58) SOS1KRAS
SCHEMBL23247360 0.89 SOS1 (0.58) SOS1KRAS
SCHEMBL23247185 0.89 SOS1 (0.58) SOS1KRAS
SCHEMBL23247187 0.89 SOS1 (0.58) SOS1KRAS
SCHEMBL29863395 0.89 SOS1 (0.58) SOS1KRAS
SCHEMBL23247524 0.86 SOS1 (0.60) SOS1KRAS
SCHEMBL23246200 0.86 SOS1 (0.60) SOS1KRAS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045505-A1 2-METHYL-AZA-QUINAZOLINES Bayer Aktiengesellschaft (DE) 2022-08-24 EP claimed
EP-4045505-A1 2-METHYL-AZA-QUINAZOLINES Bayer Aktiengesellschaft (DE) 2022-08-24 EP disclosed