SCHEMBL29344706

SCHEMBL29344706

CC(CO)c1cnn2c(Cl)cc(Cl)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.37
CDK5 Q00535 4/20 0.37
CDK5R1 Q15078 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
PDE10A Q9Y233 1/20 0.35
CDK7 P50613 4/20 0.33
CCNT1 O60563 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK9 P50750 2/20 0.32
CCNH P51946 2/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
INSRR P14616 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL24964837 0.85 CDK2 (0.36) CDK2CDK5CDK5R1KDM4EALDH1A1
SCHEMBL29344761 0.83 CDK2 (0.35) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL1370649 0.83 CDK2 (0.40) CDK2CDK5CDK5R1KDM4EALDH1A1
SCHEMBL29344675 0.72 ALDH1A1 (0.34) CDK2CDK5CDK5R1KDM4EALDH1A1
SCHEMBL29344742 0.71 HSP90AA1 (0.33) KDM4EMEN1CYP2C9CYP2C19KMT2A
SCHEMBL29344733 0.71 ALDH1A1 (0.36) KDM4EALDH1A1MAPTRAB9AMAPK1
SCHEMBL13650606 0.71 ALDH1A1 (0.44) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL5119212 0.70 PDE10A (0.40) CDK2KDM4EALDH1A1MAPTRAB9A
SCHEMBL12953072 0.70 PDE10A (0.46) CDK2CDK5CDK5R1KDM4EALDH1A1
SCHEMBL20971704 0.69 MAPT (0.54) CDK2CDK5CDK5R1KDM4EALDH1A1

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-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed