SCHEMBL20142387

SCHEMBL20142387

Cc1ccc(Nc2nc(N)c(C(=O)c3cccnc3)s2)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.81
CDK2 P24941 10/20 0.81
CDK5 Q00535 10/20 0.79
CDK5R1 Q15078 10/20 0.79
CCNE1 P24864 1/20 0.75
GSK3A P49840 2/20 0.63
GSK3B P49841 2/20 0.63
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
MAPK14 Q16539 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL1248181 0.90 CDK2 (1.00) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL4395888 0.89 CDK5 (0.80) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL4401388 0.89 CCNA2 (0.81) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL7756972 0.89 CCNA2 (0.81) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142253 0.87 CCNA2 (0.82) CCNA2CDK2CDK5CDK5R1GSK3A
SCHEMBL20142455 0.86 GSK3A (0.71) CCNA2CDK2CDK5CDK5R1GSK3A
SCHEMBL20142395 0.86 CCNA2 (0.77) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142075 0.84 CCNA2 (0.59) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL25609793 0.84 CDK5 (0.74) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142858 0.83 CCNA2 (0.72) CCNA2CDK2CDK5CDK5R1CCNE1

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
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO disclosed