SCHEMBL27362019

SCHEMBL27362019

Nc1cnc(-c2c[nH]c3ncccc23)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.62
CDK9 P50750 5/20 0.62
CDK5 Q00535 4/20 0.62
CDK2 P24941 3/20 0.62
CCNT1 O60563 2/20 0.62
CCNA2 P20248 2/20 0.62
CCNA1 P78396 1/20 0.62
CDK5R1 Q15078 1/20 0.62
DYRK1A Q13627 4/20 0.57
CDC7 O00311 3/20 0.57
DAPK3 O43293 3/20 0.57
MAP4K4 O95819 3/20 0.57
PIM1 P11309 3/20 0.57
PRKACA P17612 3/20 0.57
CLK2 P49760 3/20 0.57
GSK3B P49841 3/20 0.57
CDK7 P50613 3/20 0.57
PRKX P51817 3/20 0.57
CLK4 Q9HAZ1 3/20 0.57
CDK8 P49336 2/20 0.57

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
SCHEMBL5618155 0.79 TGFBR1 (0.71) PDPK1CDK9CDK5CDK2CCNT1
SCHEMBL8939549 0.79 CDC7 (0.70) PDPK1CDK9CDK5CDK2CCNT1
SCHEMBL27361882 0.78 CLK1 (0.59) CDK5CDK2CDK5R1DYRK1APIM1
SCHEMBL25029290 0.77 CDC7 (0.57) PDPK1CDK9CDK5CDK2CCNT1
Meriolin 1 SCHEMBL2241315 0.77 CDK9 (1.00) PDPK1CDK9CDK5CDK2CCNT1
SCHEMBL25787852 0.77 PRKCI (0.63) PDPK1CDK9CDK5CDK2CCNT1
SCHEMBL29364420 0.77 PRKCI (0.63) PDPK1CDK9CDK5CDK2CCNT1
SCHEMBL4474062 0.76 PDPK1 (0.63) PDPK1CDK9CDK5CDK2CCNT1
SCHEMBL15190035 0.76 CDK5 (0.68) PDPK1CDK9CDK5CDK2CCNT1
SCHEMBL8939620 0.76 CDC7 (0.80) PDPK1CDK9CDK5CDK2CCNT1

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-2024014536-A1 REAGENT FOR DETECTING SARS-RELATED CORONAVIRUS 国立研究開発法人産業技術総合研究所 2024-01-18 WO disclosed