SCHEMBL29502154

SCHEMBL29502154

CO[C@H]1CC[C@@H](n2c(=O)[nH]c3cnc(Cl)nc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.46
JAK2 O60674 11/20 0.43
JAK3 P52333 11/20 0.43
JAK1 P23458 7/20 0.43
HCAR1 Q9BXC0 1/20 0.41
TYK2 P29597 1/20 0.40
PIK3CA P42336 4/20 0.38
MTOR P42345 2/20 0.38
HSD11B1 P28845 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL23620391 1.00 PRKDC (0.46) PRKDCJAK2JAK3JAK1HCAR1
SCHEMBL20299431 1.00 PRKDC (0.46) PRKDCJAK2JAK3JAK1HCAR1
SCHEMBL25057364 1.00 PRKDC (0.46) PRKDCJAK2JAK3JAK1HCAR1
SCHEMBL23620418 0.86 JAK2 (0.45) PRKDCJAK2JAK3JAK1HCAR1
SCHEMBL1781369 0.85 HCAR1 (0.48) JAK2JAK3JAK1HCAR1TYK2
SCHEMBL23452644 0.85 JAK2 (0.54) PRKDCJAK2JAK3JAK1TYK2
SCHEMBL20329966 0.85 JAK2 (0.54) PRKDCJAK2JAK3JAK1TYK2
SCHEMBL29771039 0.85 JAK2 (0.54) PRKDCJAK2JAK3JAK1TYK2
SCHEMBL20359146 0.85 JAK2 (0.54) PRKDCJAK2JAK3JAK1TYK2
SCHEMBL1693604 0.84 HCAR1 (0.50) JAK2JAK3JAK1HCAR1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315834-B Imidazolone derivatives and their use in medicine 成都百裕制药股份有限公司 2024-01-05 CN disclosed
CN-113121538-B Furan derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-04-21 CN disclosed
CN-114315834-A Imidazolidinone derivatives and their use in medicaments 成都百裕制药股份有限公司 2022-04-12 CN disclosed