SCHEMBL29698798

SCHEMBL29698798

Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(Br)c(=O)n(C)c2n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 20/20 0.69
KRAS P01116 13/20 0.60

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
SCHEMBL29910290 0.90 SOS1 (0.69) SOS1KRAS
SCHEMBL23326562 0.90 SOS1 (0.69) SOS1KRAS
SCHEMBL23326563 0.90 SOS1 (0.69) SOS1KRAS
SCHEMBL25825986 0.89 SOS1 (0.57) SOS1
SCHEMBL25823841 0.88 SOS1 (0.54) SOS1
SCHEMBL24583638 0.87 SOS1 (0.68) SOS1KRAS
SCHEMBL23326437 0.86 SOS1 (0.69) SOS1KRAS
SCHEMBL29910237 0.86 SOS1 (0.69) SOS1KRAS
SCHEMBL23326439 0.86 SOS1 (0.69) SOS1KRAS
SCHEMBL23326459 0.85 SOS1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022135590-A1 PYRIMIDO-HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海凌达生物医药有限公司 2022-06-30 WO disclosed