SCHEMBL25901681

SCHEMBL25901681

Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)Cc2cc(N3CCN(C(=O)OC[C@@H]4CCCN4C)[C@@H](C)C3)no2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 11/20 0.42
▸ ELOC Q15369 1/20 0.40
▸ ELOB Q15370 1/20 0.40
▸ SMARCA2 P51531 4/20 0.36
▸ SMARCA4 P51532 4/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ IRAK1 P51617 2/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK6 Q00534 1/20 0.34

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
SCHEMBL25901663 0.85 VHL (0.48) VHLELOCELOBSMARCA2SMARCA4
SCHEMBL25894289 0.85 VHL (0.48) VHLELOCELOBSMARCA2SMARCA4
SCHEMBL25901832 0.84 VHL (0.40) VHLELOCELOBSMARCA2SMARCA4
SCHEMBL25901816 0.81 VHL (0.41) VHLELOCELOBSMARCA2SMARCA4
SCHEMBL25905444 0.80 VHL (0.42) VHLELOCELOBSMARCA2SMARCA4
SCHEMBL25769171 0.80 VHL (0.58) VHLELOCELOBSOS1ACACB
SCHEMBL25905439 0.79 VHL (0.39) VHLELOCELOBSOS1LRRK2
SCHEMBL23205254 0.79 VHL (0.52) VHLELOCELOBSOS1EGFR
SCHEMBL25900704 0.79 VHL (0.45) VHLELOCELOBSOS1LRRK2
SCHEMBL25898604 0.79 VHL (0.43) VHLELOCELOBSMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141570-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2023-07-27 — — WO disclosed
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