SCHEMBL29412977

SCHEMBL29412977

CC(C)c1cnc2c(N)cc(Cl)nn12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
DYRK3 O43781 1/20 0.32
CCNA2 P20248 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 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
SCHEMBL23547410 0.81 HAVCR2 (0.31) CDK2CDK5CDK5R1CCNT1CDK7
SCHEMBL26630222 0.75 PDE4A (0.32)
SCHEMBL19748848 0.75 TDP1 (0.35) CDK2CDK5CDK5R1DYRK3CCNA2
SCHEMBL29412976 0.74 MALT1 (0.37)
SCHEMBL31201490 0.72 TDP1 (0.33)
SCHEMBL26730569 0.72 LRRK2 (0.38) CDK2CDK5CDK5R1CCNA2CCNT1
SCHEMBL26630077 0.70 CCNT1 (0.49) CDK2CDK5CDK5R1CCNT1CDK7
SCHEMBL26605792 0.70 CCNT1 (0.34) CDK2CDK5CDK5R1CCNT1CDK7
SCHEMBL26630017 0.69 CDK2 (0.34) CDK2CDK5CDK5R1CCNT1CDK7
SCHEMBL22185649 0.68 TNF (0.49) CDK2CDK5CDK5R1DYRK3CCNA2

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-2022061155-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2022-03-24 WO disclosed