SCHEMBL30166795

SCHEMBL30166795

CC1C(=O)N(c2ccc3c(c2)ncn3COCC[Si](C)(C)C)C1c1c(F)cc(OCCC(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 7/20 0.38
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32

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
SCHEMBL24816745 1.00 QPCT (0.38) QPCTBRD4CREBBP
SCHEMBL25707247 0.89 QPCT (0.39) QPCTBRD4CREBBP
SCHEMBL30166786 0.89 QPCT (0.39) QPCTBRD4CREBBP
SCHEMBL24813956 0.89 QPCT (0.39) QPCTBRD4CREBBP
SCHEMBL30166772 0.88 BRD4 (0.34) BRD4CREBBP
SCHEMBL24815415 0.88 BRD4 (0.34) BRD4CREBBP
SCHEMBL24813939 0.88 BRD4 (0.34) BRD4CREBBP
SCHEMBL24814387 0.88 BRD4 (0.34) BRD4CREBBP
SCHEMBL30166871 0.88 BRD4 (0.34) BRD4CREBBP
SCHEMBL30166842 0.85 QPCT (0.37) QPCTBRD4CREBBP

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
CN-118019737-A Beta-lactam derivatives for the treatment of diseases 英矽智能科技知识产权有限公司 2024-05-10 — — CN disclosed
EP-4359405-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES Insilico Medicine IP Limited (HK) 2024-05-01 — — EP disclosed
WO-2022268179-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES INSILICO MEDICINE IP LIMITED (CN) 2022-12-29 — — WO disclosed
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