SCHEMBL26870870

SCHEMBL26870870

CC(c1cc(Cl)n2nccc2n1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.51
▸ CCNT1 O60563 19/20 0.46
▸ CDK9 P50750 19/20 0.46
▸ CDK4 P11802 4/20 0.43
▸ CCND1 P24385 4/20 0.43
▸ CDK7 P50613 3/20 0.43
▸ CCNH P51946 3/20 0.43
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK3 Q00526 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39

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
SCHEMBL26870912 0.94 CCNT1 (0.50) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL14050765 0.94 CCNT1 (0.53) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL14050889 0.90 PDE10A (0.44) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL26871365 0.85 PDE10A (0.54) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL26867814 0.83 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26871188 0.83 PDE10A (0.51) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL26867820 0.83 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867819 0.83 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26871014 0.82 PDE10A (0.51) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL26871169 0.82 PDE10A (0.48) PDE10ACCNT1CDK9CDK4CCND1

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
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 — — EP disclosed
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