SCHEMBL12069784

SCHEMBL12069784

CNc1nc(Cl)cc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ GAA P10253 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ RAB9A P51151 4/20 0.49
▸ PDPK1 O15530 3/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ PIK3CD O00329 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PTGES O14684 2/20 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
SCHEMBL1317503 0.85 PDPK1 (0.61) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL3124312 0.83 CCNC (0.46) TSHRGAAHSD17B10
SCHEMBL14804589 0.82 PDPK1 (0.61) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL1319357 0.82 PDPK1 (0.61) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL1317217 0.80 PDPK1 (0.48) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL1317221 0.80 PDPK1 (0.48) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL1317219 0.80 PDPK1 (0.48) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL1319776 0.79 PDPK1 (0.47) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL1319773 0.79 PDPK1 (0.47) TSHRGAAHSD17B10RAB9APDPK1
SCHEMBL1319780 0.79 PDPK1 (0.47) TSHRGAAHSD17B10RAB9APDPK1

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
WO-2011149874-A2 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 SCHERING CORPORATION (US) 2011-12-01 — — WO disclosed
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