SCHEMBL1321272

SCHEMBL1321272

Nc1nc2ccc(F)cn2c1-c1ccccc1.O=C(Nc1nc2ccc(F)cn2c1-c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 4/20 0.43
▸ PIK3CD O00329 3/20 0.42
▸ PIK3R1 P27986 3/20 0.42
▸ PIK3CB P42338 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ AKT1 P31749 3/20 0.40
▸ AKT2 P31751 3/20 0.40
▸ CDK2 P24941 3/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1320085 0.93 AKT1 (0.42) USP7PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL1318629 0.81 AKT1 (0.53) USP7PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL7682045 0.80 CDK2 (0.43) USP7AKT1AKT2CDK2CDK4
SCHEMBL1320290 0.79 CSNK1D (0.42) USP7PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL7679500 0.79 CDK2 (0.43) USP7AKT1AKT2CDK2CDK4
SCHEMBL1322118 0.78 PIK3CD (0.41) USP7PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL1319308 0.78 ABL1 (0.41) CDK2CDK4CCNE1RAB9AKDM4E
SCHEMBL7676761 0.77 AKT1 (0.51) USP7AKT1AKT2TRPM8NPC1
SCHEMBL7676827 0.77 ABCC9 (0.38) USP7AKT1AKT2CDK2CDK4
SCHEMBL1321698 0.76 KCNQ3 (0.44) USP7PIK3CDPIK3R1PIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 — — US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 — — WO disclosed
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