SCHEMBL30959541

SCHEMBL30959541

N#CCc1cncc(Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.38
CYP2A6 P11509 1/20 0.30

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
SCHEMBL26120030 0.77 CYP11B2 (0.36) CYP2A6
SCHEMBL24996616 0.77 CSNK2A1 (0.35) CSNK2A1
SCHEMBL16196135 0.75
SCHEMBL16196324 0.74 PDXK (0.34)
SCHEMBL27451735 0.74
SCHEMBL31470356 0.73 CSNK2A1 (0.36) CSNK2A1
SCHEMBL4783298 0.72 HCAR2 (0.30)
SCHEMBL1938836 0.71
SCHEMBL16213170 0.71
SCHEMBL18190429 0.71 CSNK2A1 (0.39) CSNK2A1CYP2A6

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-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 WO disclosed