SCHEMBL31413638

SCHEMBL31413638

Nc1cc([C@@H]2CC[C@H](O)C2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
HCAR3 P49019 1/20 0.35
CDK2 P24941 13/20 0.35
CCNA2 P20248 12/20 0.35
CCNA1 P78396 12/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CCNE1 P24864 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 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
SCHEMBL31664337 1.00 HCAR2 (0.41) HCAR2HCAR3CDK2CCNA2CCNA1
SCHEMBL56939 0.83
Hydrochloric Acid SCHEMBL17107724 0.81 HCAR2 (0.48) HCAR2HCAR3CDK2CCNA2CCNA1
SCHEMBL3551909 0.76 HCAR2 (0.49) HCAR2HCAR3CDK2CCNA2CCNA1
SCHEMBL1269829 0.76 HCAR2 (0.53) HCAR2HCAR3CDK2CCNA2CCNA1
SCHEMBL25942465 0.74 CDK2 (0.49) HCAR2CDK2CCNE1GSK3B
SCHEMBL16247075 0.74 HCAR2 (0.47) HCAR2HCAR3CDK2CCNA2CCNA1
SCHEMBL20242079 0.73 MKNK1 (0.34) HCAR2HCAR3MKNK1MKNK2
SCHEMBL12184926 0.73 MKNK1 (0.57) HCAR2HCAR3MKNK1MKNK2MAPT
Hydrochloric Acid SCHEMBL17398190 0.73 HCAR2 (0.46) HCAR2HCAR3CDK2CCNA2CCNA1

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-2025041076-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-02-27 WO disclosed