SCHEMBL29085235

SCHEMBL29085235

Cc1nc(C(=O)NC2C3COCC32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ SMPD3 Q9NY59 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL27202813 0.91 BACE1 (0.47) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL29085250 0.87 BACE1 (0.46) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL25234852 0.85 BACE1 (0.48) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL31042189 0.85 BACE1 (0.48) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL29085252 0.85 CCNA2 (0.45) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL29085165 0.85 CCNA2 (0.45) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL30604687 0.85 CCNA2 (0.45) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL22912731 0.83 BACE1 (0.52) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL30212537 0.83 BACE1 (0.52) BACE1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL25235268 0.81 BACE1 (0.50) BACE1KMT2AMEN1SMN1; SMN2MAPT

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-116867783-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-10-10 — — CN disclosed
WO-2022222964-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-10-27 — — WO disclosed
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