SCHEMBL30991971

SCHEMBL30991971

N[C@H]1CC[C@@H](Nc2c3c(nc4c(Br)cnn24)C2(CCCC2)CC3)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.35
CDK2 P24941 10/20 0.35
CCNT1 O60563 10/20 0.35
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
CCNA1 P78396 4/20 0.35
CDK7 P50613 3/20 0.35
CCNA2 P20248 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK3 Q00526 3/20 0.35
CDK1 P06493 2/20 0.35
CCNH P51946 2/20 0.35
CDK6 Q00534 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
MAPKAPK2 P49137 1/20 0.34
GSK3B P49841 3/20 0.33
HRH3 Q9Y5N1 1/20 0.31
CDK13 Q14004 2/20 0.31
CDK12 Q9NYV4 2/20 0.31

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
SCHEMBL29332445 1.00 CDK9 (0.35) CDK9CDK2CCNT1CDK4CCND1
Hydrochloric Acid SCHEMBL30992020 0.95 CDK9 (0.35) CDK9CDK2CCNT1CDK4CCND1
SCHEMBL30991926 0.94 CDK2 (0.39) CDK2CCNA1CCNA2MAPKAPK2GSK3B
Hydrochloric Acid SCHEMBL30991949 0.92 CCNT1 (0.31) CDK9CDK2CCNT1CDK4CCND1
Hydrochloric Acid SCHEMBL30991903 0.89 CDK2 (0.39) CDK2MAPKAPK2GSK3B
SCHEMBL30991938 0.88 CDK9 (0.35) CDK9CDK2CCNT1CDK4CCND1
Hydrochloric Acid SCHEMBL30991908 0.87 CDK2 (0.32) CDK9CDK2CCNT1CDK4CCND1
Hydrochloric Acid SCHEMBL30991897 0.87 CDK9 (0.47) CDK9CDK2CCNT1CDK4CCND1
SCHEMBL29332616 0.86 CSNK2A1 (0.32)
SCHEMBL30991893 0.86 CYP1A2 (0.33) CDK2CCNA1CCNA2GSK3BCHEK1

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