SCHEMBL29937019

SCHEMBL29937019

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc3ccc(F)cc3c(O)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
TAS2R14 Q9NYV8 2/20 0.39
PLA2G2A P14555 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
APLNR P35414 2/20 0.38
QPCT Q16769 1/20 0.38
MAP2K4 P45985 1/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL29200689 1.00 PTGDR2 (0.40) PTGDR2TAS2R14PLA2G2AMEN1KMT2A
SCHEMBL30803652 0.84 MEN1 (0.49) MEN1KMT2AQPCTLMNAMAPT
SCHEMBL29200748 0.84 MEN1 (0.49) MEN1KMT2AQPCTLMNAMAPT
SCHEMBL30959157 0.82 PLA2G2A (0.46) PTGDR2TAS2R14PLA2G2AMEN1KMT2A
SCHEMBL29344180 0.81 PTGDR2 (0.36) PTGDR2PLA2G2AMEN1KMT2AAPLNR
SCHEMBL29936925 0.81 PTGDR2 (0.36) PTGDR2PLA2G2AMEN1KMT2AAPLNR
SCHEMBL30959678 0.77 PLA2G2A (0.43) PLA2G2AMEN1KMT2AQPCTMAP2K4
SCHEMBL21733480 0.71 MEN1 (0.44) MEN1KMT2AQPCTLMNAMAPT
SCHEMBL29999713 0.71 MEN1 (0.44) MEN1KMT2AQPCTLMNAMAPT
SCHEMBL14915131 0.71 APLNR (0.49) TAS2R14MEN1KMT2AAPLNRQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735453-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
EP-4709371-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-03-18 EP disclosed
WO-2025006704-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-01-02 WO disclosed
WO-2024233776-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2024-11-14 WO disclosed
CN-117659050-A Quinazoline heterocyclic derivatives as KRAS mutation inhibitors for the treatment of cancer 深圳福沃药业有限公司 2024-03-08 CN disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed