SCHEMBL30992013

SCHEMBL30992013

CCC1(CC)CCc2c1nc1ccnn1c2NC1CC(N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.45
CCNT1 O60563 12/20 0.45
CDK7 P50613 4/20 0.45
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
CCNH P51946 3/20 0.45
CDK2 P24941 5/20 0.41
CDK13 Q14004 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
CCNE1 P24864 2/20 0.41
CCNA1 P78396 2/20 0.41
CDK3 Q00526 2/20 0.41
CCNK O75909 1/20 0.41
CDK14 O94921 1/20 0.41
CYP1A2 P05177 1/20 0.41
CDK1 P06493 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNC P24863 1/20 0.41
CDK6 Q00534 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL29330772 1.00 CDK9 (0.45) CDK9CCNT1CDK7CDK4CCND1
Hydrochloric Acid SCHEMBL30991915 0.92 CDK9 (0.50) CDK9CCNT1CDK7CDK4CCND1
SCHEMBL29331385 0.78 CDK9 (0.44) CDK9CCNT1CDK7CDK4CCND1
SCHEMBL29329574 0.77 HTR2C (0.36) CDK9CCNT1MAPKAPK2HTR2AHTR2C
SCHEMBL29330875 0.76 CDK9 (0.45) CDK9CCNT1CDK7CDK4CCND1
SCHEMBL29332433 0.75 CDK9 (0.41) CDK9CCNT1CDK7CDK4CCND1
Hydrochloric Acid SCHEMBL30991916 0.74 CDK9 (0.43) CDK9CCNT1CDK7CDK4CCND1
Hydrochloric Acid SCHEMBL30991892 0.74 CDK9 (0.41) CDK9CCNT1CDK7CDK4CCND1
SCHEMBL30991937 0.72 CDK9 (0.43) CDK9CCNT1CDK7CDK4CCND1
SCHEMBL30991898 0.72 HTR2A (0.33) CDK9CCNT1CDK7CDK4CCND1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO claimed