SCHEMBL22787807

SCHEMBL22787807

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc3cc(Br)ccc3n2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.49
▸ CCNA2 P20248 14/20 0.49
▸ CDK2 P24941 14/20 0.49
▸ CDK7 P50613 14/20 0.49
▸ CCNH P51946 14/20 0.49
▸ MNAT1 P51948 14/20 0.49
▸ CDK12 Q9NYV4 14/20 0.49
▸ USP30 Q70CQ3 3/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ FPR3 P25089 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ BTK Q06187 1/20 0.44

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
SCHEMBL29494812 1.00 CCNK (0.49) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31460656 1.00 CCNK (0.49) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL29527460 1.00 CCNK (0.49) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL28717093 1.00 CCNK (0.49) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL889079 0.94 USP30 (0.53) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL23003229 0.93 CDK2 (0.50) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL23063687 0.93 CDK2 (0.50) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL23003227 0.93 CDK2 (0.50) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL23003217 0.89 CCNA2 (0.60) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL23003215 0.89 CCNA2 (0.60) CCNKCCNA2CDK2CDK7CCNH

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-114302877-A Quinazolinyl compounds and methods of use 基因泰克公司 2022-04-08 — — CN disclosed
WO-2020252165-A1 QUINAZOLINYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-12-17 — — WO disclosed
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