SCHEMBL4972074

SCHEMBL4972074

Nc1nc(-c2nc3ccncc3s2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.46
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ ILK Q13418 2/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ PI4KA P42356 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ PIP5K1C O60331 1/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ DBF4 Q9UBU7 1/20 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
SCHEMBL1203675 0.80 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23458521 0.76 NPC1 (0.68) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL14858961 0.76 PIK3CD (0.56) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL28575554 0.72 CYP19A1 (0.42) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL220419 0.72 NPC1 (0.69) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL3954688 0.71 RAB9A (0.54) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13470765 0.70 KDM4E (0.64) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL218887 0.70 RAB9A (0.68) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL130198 0.68 ALDH1A1 (0.69) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23172361 0.68 RAB9A (0.51) NPC1RAB9AKDM4EALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 — — EP claimed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 — — WO claimed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 — — EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 — — WO disclosed
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