SCHEMBL30405764

SCHEMBL30405764

CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(N)nc3)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.62
PRKDC P78527 1/20 0.59
CREBBP Q92793 2/20 0.45
NR1H2 P55055 1/20 0.45
MTOR P42345 1/20 0.45
RIPK1 Q13546 3/20 0.44
GPR142 Q7Z601 4/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL3752728 1.00 PIK3CA (0.62) PIK3CAPRKDCCREBBPNR1H2MTOR
SCHEMBL856320 0.88 PIK3CA (0.49) PIK3CAPRKDCCREBBPNR1H2MTOR
SCHEMBL3749745 0.88 PIK3CA (0.49) PIK3CAPRKDCMTORRIPK1GPR142
SCHEMBL2724334 0.86 PIK3CA (0.47) PIK3CAPRKDCCREBBPMTORRIPK1
SCHEMBL856145 0.85 NR1H2 (0.48) PIK3CAPRKDCCREBBPNR1H2RIPK1
SCHEMBL9288018 0.85 PIK3CA (0.51) PIK3CAPRKDCCREBBPNR1H2MTOR
SCHEMBL3765369 0.84 PIK3CA (0.45) PIK3CAPRKDCCREBBPNR1H2RIPK1
SCHEMBL856311 0.84 PIK3CA (0.48) PIK3CAPRKDCCREBBPNR1H2MTOR
SCHEMBL3754730 0.84 PIK3CA (0.67) PIK3CAPRKDCCREBBPMTORGPR142
SCHEMBL3277263 0.83 PIK3CA (0.60) PIK3CACREBBPRIPK1GPR142USP30

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
CN-112368289-B C26-linked rapamycin analogues as MTOR inhibitors 锐新医药公司 2024-02-20 CN disclosed
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 EP disclosed