SCHEMBL28703261

SCHEMBL28703261

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(Cl)cc4ncccc34)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.54
▸ RET P07949 9/20 0.51
▸ CKS1B P61024 2/20 0.50
▸ SKP1 P63208 2/20 0.50
▸ SKP2 Q13309 2/20 0.50
▸ GBA1 P04062 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ ADK P55263 1/20 0.46
▸ WNT3A P56704 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ KIT P10721 1/20 0.43

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
SCHEMBL28462137 0.85 RET (0.54) PGK1RETCKS1BSKP1SKP2
SCHEMBL31071888 0.85 RET (0.54) PGK1RETCKS1BSKP1SKP2
SCHEMBL28936733 0.84 HDAC1 (0.47) PGK1RETGPR119
SCHEMBL31143999 0.82 RET (0.41) PGK1RET
SCHEMBL28711627 0.82 RET (0.41) PGK1RET
SCHEMBL23107933 0.82 GBA1 (0.58) CKS1BSKP1SKP2GBA1POLB
SCHEMBL28711629 0.82 RET (0.43) PGK1RET
SCHEMBL28715860 0.80 RET (0.52) RETCKS1BSKP1SKP2
SCHEMBL31071901 0.78 RET (0.71) RET
SCHEMBL31071882 0.78 RET (0.53) RETCKS1BSKP1SKP2WNT3A

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
CN-113461670-A Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2021-10-01 — — CN disclosed
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