SCHEMBL30459024

SCHEMBL30459024

[2H]c1nccc(-c2cn(C)c3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.47
CDK5R1 Q15078 3/20 0.47
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
BRD4 O60885 1/20 0.46
DYRK1A Q13627 2/20 0.45
CDK2 P24941 2/20 0.44
PIM1 P11309 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL17683078 0.85 CDK5 (0.49) CDK5CDK5R1CCNT1CDK9BRD4
SCHEMBL30129257 0.85 CDK5 (0.49) CDK5CDK5R1CCNT1CDK9BRD4
SCHEMBL30598645 0.78 BRD4 (0.41) CDK5CDK5R1CCNT1CDK9BRD4
SCHEMBL28939744 0.73 EGFR (0.52) CDK5CDK5R1CCNT1CDK9DYRK1A
SCHEMBL29419125 0.73 MKNK1 (0.50) CDK5CDK5R1CCNT1CDK9DYRK1A
SCHEMBL5096322 0.73 MKNK1 (0.50) CDK5CDK5R1CCNT1CDK9DYRK1A
SCHEMBL30337182 0.73 CDK5 (0.51) CDK5CDK5R1CCNT1CDK9DYRK1A
SCHEMBL5750318 0.73 CDC7 (0.60) CDK5CDK5R1CCNT1CDK9DYRK1A
SCHEMBL29870510 0.73 CDC7 (0.60) CDK5CDK5R1CCNT1CDK9DYRK1A
SCHEMBL29800582 0.73 EGFR (0.52) CDK5CDK5R1CCNT1CDK9DYRK1A

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO claimed