SCHEMBL28716631

SCHEMBL28716631

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(-c3cc(Cl)cc4ncccc34)cn2)C[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 18/20 0.54
▸ EIF2AK4 Q9P2K8 1/20 0.44
▸ SYK P43405 1/20 0.42

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
SCHEMBL31143957 1.00 RET (0.54) RETEIF2AK4SYK
SCHEMBL28715860 0.88 RET (0.52) RETEIF2AK4SYK
SCHEMBL31144083 0.81 RET (0.51) RETSYK
SCHEMBL28713480 0.81 RET (0.44) RETEIF2AK4SYK
SCHEMBL31144088 0.81 RET (0.44) RETEIF2AK4SYK
SCHEMBL28703228 0.79 RET (0.49) RETSYK
SCHEMBL28462137 0.78 RET (0.54) RET
SCHEMBL31071888 0.78 RET (0.54) RET
SCHEMBL31071776 0.77 RET (0.55) RET
SCHEMBL28709581 0.76 RET (0.55) RETEIF2AK4SYK

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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