SCHEMBL30478179

SCHEMBL30478179

Cc1nc(C#N)ccc1NC1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.43
▸ BRD4 O60885 4/20 0.42
▸ ATAD2 Q6PL18 4/20 0.42
▸ CCNT1 O60563 4/20 0.40
▸ CDK9 P50750 4/20 0.40
▸ CCNK O75909 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK12 Q9NYV4 2/20 0.40
▸ CDK7 P50613 2/20 0.40
▸ CCNH P51946 2/20 0.40
▸ MNAT1 P51948 2/20 0.40
▸ BPTF Q12830 2/20 0.39

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
Hydrochloric Acid SCHEMBL23359975 0.76 PRKCZ (0.45) CHEK1BRD4ATAD2CCNT1CDK9
Hydrochloric Acid SCHEMBL23359977 0.76 PRKCZ (0.45) CHEK1BRD4ATAD2CCNT1CDK9
SCHEMBL30478386 0.76 PIK3CA (0.49) CHEK1BRD4ATAD2BPTF
SCHEMBL30478200 0.75 CHEK1 (0.43) CHEK1BRD4ATAD2BPTF
SCHEMBL25028765 0.74 CCNT1 (0.52) BRD4ATAD2CCNT1CDK9CCNK
SCHEMBL31687300 0.72 CYP1A2 (0.43) CHEK1BRD4ATAD2
SCHEMBL31634664 0.72 CYP1A2 (0.43) CHEK1BRD4ATAD2
SCHEMBL1033270 0.70 BRD4 (0.44) CHEK1BRD4ATAD2
SCHEMBL1033268 0.70 BRD4 (0.44) CHEK1BRD4ATAD2
Hydrochloric Acid SCHEMBL22572981 0.70 BPTF (0.43) BRD4ATAD2CCNT1CDK9BPTF

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-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 — — EP claimed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 — — WO claimed
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