SCHEMBL31239746

SCHEMBL31239746

OCC12CC(F)CC1CN(Cc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.40
GBA1 P04062 1/20 0.38
NR1I2 O75469 1/20 0.38
RORC P51449 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL31325224 0.86 FUCA1 (0.46) FUCA1GBA1GAAMEN1KMT2A
SCHEMBL4482745 0.86 FUCA1 (0.46) FUCA1GBA1GAAMEN1KMT2A
SCHEMBL8388967 0.78 FUCA1 (0.44) FUCA1GBA1POLBGAAALDH1A1
SCHEMBL5654095 0.76 ALDH1A1 (0.44) FUCA1GBA1POLBMEN1KMT2A
SCHEMBL5465323 0.76 ALDH1A1 (0.44) FUCA1GBA1POLBMEN1KMT2A
SCHEMBL5870766 0.75 ACHE (0.47) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL17137260 0.75 ACHE (0.47) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL21480155 0.75 ALDH1A1 (0.43) FUCA1POLBMEN1KMT2AALDH1A1
SCHEMBL21480154 0.75 ALDH1A1 (0.43) FUCA1POLBMEN1KMT2AALDH1A1
SCHEMBL19779412 0.75 ALDH1A1 (0.43) FUCA1POLBMEN1KMT2AALDH1A1

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-4705302-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS MUTANT KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Frontier Medicines Corporation (US) 2026-03-11 EP disclosed
WO-2024229447-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS MUTANT KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2024-11-07 WO disclosed