SCHEMBL30992018

SCHEMBL30992018

N[C@H]1CC[C@H](Nc2c3c(nc4c(Br)cnn24)C2(CCCC2)[C@H](CO)C3)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
CDK2 P24941 4/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK3 Q00526 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
GSK3B P49841 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
SCHEMBL30991970 1.00 CCNT1 (0.33) CCNT1CDK9CDK2CDK1CDK4
SCHEMBL30991983 1.00 CCNT1 (0.33) CCNT1CDK9CDK2CDK1CDK4
Hydrochloric Acid SCHEMBL30992069 0.99 CCNT1 (0.32) CCNT1CDK9CDK2CDK1CDK4
SCHEMBL30991992 0.94
SCHEMBL30991964 0.93 CCNT1 (0.32) CCNT1CDK9CDK2CDK1CDK4
SCHEMBL30991887 0.92 CDK9 (0.33) CCNT1CDK9CDK2CDK1CDK4
SCHEMBL29333266 0.91 CDK9 (0.36) CCNT1CDK9CDK2CDK1CDK4
Hydrochloric Acid SCHEMBL30991967 0.90 CDK9 (0.35) CCNT1CDK9CDK2CDK1CDK4
SCHEMBL30992052 0.90 CCNT1 (0.32) CCNT1CDK9CDK2CDK1CDK4
SCHEMBL29333292 0.90 CDK2 (0.31) CCNT1CDK9CDK2CDK1CDK4

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