SCHEMBL28936733

SCHEMBL28936733

CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(-c3nc(Cl)cc4ncccc34)cn1)C2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ RET P07949 4/20 0.47
▸ KCNK3 O14649 8/20 0.45
▸ KCNK9 Q9NPC2 8/20 0.45
▸ JAK1 P23458 2/20 0.41
▸ PGK1 P00558 1/20 0.39
▸ GPR119 Q8TDV5 4/20 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
SCHEMBL31143941 0.86 RET (0.55) HDAC1RETJAK1
SCHEMBL28703261 0.84 PGK1 (0.54) RETPGK1GPR119
SCHEMBL23878889 0.83 JAK1 (0.49) HDAC1KCNK3KCNK9JAK1GPR119
SCHEMBL30227536 0.83 JAK1 (0.49) HDAC1KCNK3KCNK9JAK1GPR119
SCHEMBL31071776 0.81 RET (0.55) HDAC1RETKCNK3KCNK9
SCHEMBL28715860 0.80 RET (0.52) RET
SCHEMBL31143999 0.78 RET (0.41) RETPGK1
SCHEMBL28711627 0.78 RET (0.41) RETPGK1
SCHEMBL28711629 0.78 RET (0.43) RETPGK1
SCHEMBL21262007 0.76 HDAC1 (0.59) HDAC1RETKCNK3KCNK9JAK1

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-113461670-B Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2024-08-09 — — CN disclosed
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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