SCHEMBL28713480

SCHEMBL28713480

CC(C)(C)OC(=O)N[C@H]1CCN(c2cnc(-c3nc(Cl)cc4ncccc34)cn2)C[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 10/20 0.44
▸ EIF2AK4 Q9P2K8 1/20 0.43
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ OPRK1 P41145 1/20 0.37
▸ SUV39H2 Q9H5I1 3/20 0.37
▸ SMO Q99835 1/20 0.37

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
SCHEMBL31144088 1.00 RET (0.44) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL28715860 0.89 RET (0.52) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL31144131 0.88 RET (0.45) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL31143957 0.81 RET (0.54) RETEIF2AK4SYK
SCHEMBL28716631 0.81 RET (0.54) RETEIF2AK4SYK
SCHEMBL31144083 0.79 RET (0.51) RETSYK
SCHEMBL20070053 0.79 RET (0.51) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL28703228 0.76 RET (0.49) RETSYK
SCHEMBL31143986 0.76 RET (0.47) RETJAK3
SCHEMBL31143925 0.73 RET (0.51) RETEIF2AK4CKS1BSKP1SKP2

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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