SCHEMBL29329574

SCHEMBL29329574

CCC1(CC)CCc2c1nc1ccnn1c2Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 1/20 0.36
PDE10A Q9Y233 2/20 0.36
KCNN3 Q9UGI6 8/20 0.33
KCNN1 Q92952 2/20 0.33
KCNN2 Q9H2S1 2/20 0.33
MAPKAPK2 P49137 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL29329754 0.80 PDE10A (0.39) HTR2CHTR2BHTR2APDE10AKCNN3
SCHEMBL29329467 0.78 PDE10A (0.37) HTR2CHTR2BHTR2APDE10A
SCHEMBL29329456 0.78 PDE10A (0.37) HTR2CHTR2BHTR2APDE10A
SCHEMBL29330772 0.77 CDK9 (0.45) HTR2CHTR2BHTR2AMAPKAPK2CCNT1
SCHEMBL30992013 0.77 CDK9 (0.45) HTR2CHTR2BHTR2AMAPKAPK2CCNT1
SCHEMBL29329459 0.77 PDE10A (0.36) HTR2CHTR2BHTR2APDE10A
SCHEMBL29329573 0.76 PDE10A (0.34) HTR2CHTR2BHTR2APDE10AMAPKAPK2
SCHEMBL29329475 0.75 PDE10A (0.37) HTR2CHTR2BHTR2APDE10A
SCHEMBL29329570 0.75 PDE10A (0.37) HTR2CHTR2BHTR2APDE10A
Hydrochloric Acid SCHEMBL30991915 0.74 CDK9 (0.50) MAPKAPK2CCNT1CDK9

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