SCHEMBL23043370

SCHEMBL23043370

CC(C)(C)[Si](O[C@@H]1CCN(C(=O)O)[C@@H]1C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.37
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AGTR2 P50052 1/20 0.31
BACE1 P56817 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM3 P20309 1/20 0.30
SMYD2 Q9NRG4 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
SCHEMBL4120850 1.00 RIPK1 (0.37) RIPK1LMNAMEN1KMT2AAGTR2
SCHEMBL26694476 1.00 RIPK1 (0.37) RIPK1LMNAMEN1KMT2AAGTR2
SCHEMBL30065094 0.91 RIPK1 (0.36) RIPK1LMNAMEN1KMT2ABACE1
SCHEMBL22554958 0.91 RIPK1 (0.36) RIPK1LMNAMEN1KMT2ABACE1
SCHEMBL29889630 0.89 KMT2A (0.36) RIPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29889644 0.88 GPR119 (0.40) LMNAMEN1KMT2AGPR119ALDH1A1
SCHEMBL22555052 0.88 GPR119 (0.40) LMNAMEN1KMT2AGPR119ALDH1A1
SCHEMBL22555283 0.86 RIPK1 (0.33) RIPK1
SCHEMBL30065579 0.86 RIPK1 (0.33) RIPK1
SCHEMBL26694854 0.86 MEN1 (0.35) RIPK1MEN1KMT2ABACE1CHRM3

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-4021444-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-07-06 EP disclosed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 CN disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 WO disclosed