SCHEMBL31071776

SCHEMBL31071776

CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc(Cl)cc4ncccc34)cn1)C2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.55
▸ HDAC1 Q13547 1/20 0.43
▸ KCNK3 O14649 3/20 0.39
▸ KCNK9 Q9NPC2 3/20 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
SCHEMBL31071826 0.89 RET (0.45) RETHDAC1KCNK3KCNK9
SCHEMBL31071779 0.89 RET (0.45) RETHDAC1KCNK3KCNK9
SCHEMBL31071808 0.86 RET (0.66) RET
SCHEMBL31071888 0.84 RET (0.54) RET
SCHEMBL28462137 0.84 RET (0.54) RET
SCHEMBL28936733 0.81 HDAC1 (0.47) RETHDAC1KCNK3KCNK9
SCHEMBL31143957 0.77 RET (0.54) RET
SCHEMBL28716631 0.77 RET (0.54) RET
SCHEMBL31071775 0.77 RET (0.56) RET
SCHEMBL31071857 0.75 POLB (0.49) RET

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-111777593-B Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2024-07-23 — — CN disclosed
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