SCHEMBL31057481

SCHEMBL31057481

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
QPCT Q16769 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
PDK1 Q15118 1/20 0.40
MAOB P27338 2/20 0.39
APLNR P35414 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSPO P30536 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
EPHX2 P34913 1/20 0.38
BCHE P06276 1/20 0.38
BCL2A1 Q16548 1/20 0.38

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
SCHEMBL31057607 0.87 QPCT (0.42) ALDH1A1QPCTMEN1KMT2AGAA
SCHEMBL10787385 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1QPCTMEN1KMT2A
SCHEMBL31057543 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1QPCTMEN1KMT2A
SCHEMBL31491029 0.81 QPCT (0.43) ALDH1A1QPCTMEN1KMT2AGAA
SCHEMBL31552005 0.81 QPCT (0.43) ALDH1A1QPCTMEN1KMT2AGAA
SCHEMBL31057578 0.81 ALDH1A1 (0.38) ALDH1A1L3MBTL1QPCTAPLNRBCHE
SCHEMBL30710039 0.80 QPCT (0.42) ALDH1A1L3MBTL1QPCTMEN1KMT2A
SCHEMBL10787375 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1QPCTMEN1KMT2A
SCHEMBL26694781 0.80 QPCT (0.42) ALDH1A1L3MBTL1QPCTMEN1KMT2A
SCHEMBL28158091 0.79 ERN1 (0.56) ALDH1A1MEN1KMT2AGAAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665735-A1 KRAS INHIBITORS Erasca, Inc. (US) 2025-12-24 EP disclosed
WO-2025245105-A1 KRAS INHIBITORS ERASCA, INC. (US) 2025-11-27 WO disclosed
WO-2024173842-A1 KRAS INHIBITORS ERASCA, INC. (US) 2024-08-22 WO disclosed