SCHEMBL31095396

SCHEMBL31095396

OC[C@@H]1CCCN1c1nc(Cl)nc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CUL4A Q13619 1/20 0.39
CHUK O15111 2/20 0.38
ADORA2A P29274 5/20 0.38
ADORA1 P30542 5/20 0.38
ADORA3 P0DMS8 4/20 0.38
C5AR1 P21730 1/20 0.35
TYMP P19971 1/20 0.34
ADORA2B P29275 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CNR2 P34972 1/20 0.34
PDK2 Q15119 2/20 0.33
PAK4 O96013 1/20 0.33
PDK4 Q16654 1/20 0.33
TRPV1 Q8NER1 2/20 0.33

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
SCHEMBL20589585 1.00 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL29880508 1.00 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20588673 1.00 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20588671 1.00 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20589134 0.99 CCNE2 (0.38) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20589131 0.99 CCNE2 (0.38) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL25195382 0.97 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20590049 0.97 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20590050 0.97 CCNE2 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL20589725 0.86 CCNE2 (0.37) CCNE2CDK4CCND1CCNE1CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed