SCHEMBL29998917

SCHEMBL29998917

COc1ccc(CNc2nnccc2[C@@H](C)NCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 4/20 0.45
▸ CCNE1 P24864 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ PRUNE1 Q86TP1 1/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ CDK1 P06493 5/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ CCNB2 O95067 2/20 0.40
▸ CCNB3 Q8WWL7 2/20 0.40
▸ PDE5A O76074 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ PDE6C P51160 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40

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
SCHEMBL27089192 1.00 CCNE2 (0.45) CCNE2CCNE1CDK2PRUNE1NPC1
SCHEMBL27089188 1.00 CCNE2 (0.45) CCNE2CCNE1CDK2PRUNE1NPC1
SCHEMBL32669425 0.80 CDK1 (0.44) PRUNE1NPC1CDK1CCNB1CCNB2
SCHEMBL27088683 0.80 CCNE2 (0.51) CCNE2CCNE1CDK2PRUNE1NPC1
SCHEMBL27088677 0.80 CCNE2 (0.51) CCNE2CCNE1CDK2PRUNE1NPC1
SCHEMBL27089334 0.80 CCNE2 (0.51) CCNE2CCNE1CDK2PRUNE1NPC1
SCHEMBL27088974 0.80 CCNE2 (0.46) CCNE2CCNE1CDK2PRUNE1CDK1
SCHEMBL27088969 0.80 CCNE2 (0.46) CCNE2CCNE1CDK2PRUNE1CDK1
SCHEMBL29998666 0.80 CCNE2 (0.46) CCNE2CCNE1CDK2PRUNE1CDK1
SCHEMBL29999655 0.73 NPC1 (0.36) NPC1CDK1CCNB1CCNB2CCNB3

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
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 — — WO disclosed
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