SCHEMBL20142352

SCHEMBL20142352

Nc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.77
CDK2 P24941 10/20 0.77
CDK5 Q00535 8/20 0.69
CDK5R1 Q15078 8/20 0.69
MAPT P10636 4/20 0.66
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
NPC1 O15118 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
RAB9A P51151 1/20 0.58
MAPK14 Q16539 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL13633843 0.90 CCNA2 (0.78) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142491 0.87 CDK5 (0.65) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142431 0.87 CCNA2 (0.72) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL25609597 0.87 MAPT (0.78) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142200 0.86 CCNA2 (0.81) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142166 0.85 CCNA2 (0.66) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4477981 0.84 CDK5 (0.81) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4465180 0.82 CCNA2 (0.82) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL7756943 0.82 MAPT (0.78) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20141898 0.82 CDK5 (0.71) CCNA2CDK2CDK5CDK5R1MAPT

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