SCHEMBL29998666

SCHEMBL29998666

COc1ccc(CNc2ncncc2[C@@H](C)NCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 3/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ CCNB1 P14635 3/20 0.46
▸ CCNB2 O95067 2/20 0.46
▸ CCNB3 Q8WWL7 2/20 0.46
▸ EGFR P00533 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PDE5A O76074 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43

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
SCHEMBL27088974 1.00 CCNE2 (0.46) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL27088969 1.00 CCNE2 (0.46) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL32669313 0.81 CDK1 (0.51) CDK1CCNB1CCNB2CCNB3EGFR
SCHEMBL27089188 0.80 CCNE2 (0.45) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL27089192 0.80 CCNE2 (0.45) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL29998917 0.80 CCNE2 (0.45) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL27088683 0.78 CCNE2 (0.51) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL27089334 0.78 CCNE2 (0.51) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL27088677 0.78 CCNE2 (0.51) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL10875900 0.73 EGFR (0.54) CDK1CCNB1CCNB2CCNB3EGFR

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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