SCHEMBL20141966

SCHEMBL20141966

Nc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
CCNA2 P20248 12/20 0.64
CDK2 P24941 12/20 0.64
CDK5 Q00535 5/20 0.64
CDK5R1 Q15078 5/20 0.64
NPC1 O15118 3/20 0.64
GSK3A P49840 2/20 0.64
GSK3B P49841 2/20 0.64
RAB9A P51151 1/20 0.64
MAPK14 Q16539 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 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
SCHEMBL7756943 0.92 MAPT (0.78) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL25609597 0.92 MAPT (0.78) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL25609624 0.91 CDK5 (0.77) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL20142491 0.90 CDK5 (0.65) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL20141898 0.89 CDK5 (0.71) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL20142105 0.87 CDK5 (0.67) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL20142386 0.87 GSK3A (0.75) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL4473692 0.87 CCNA2 (0.85) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL25268556 0.86 MEN1 (0.65) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL20142855 0.85 MEN1 (0.68) MAPTCCNA2CDK2CDK5CDK5R1

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