SCHEMBL20142166

SCHEMBL20142166

N#Cc1cccc(C(=O)c2sc(Nc3ccc(C(F)(F)F)cc3)nc2N)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.66
CDK2 P24941 11/20 0.66
MAPT P10636 2/20 0.63
CDK5 Q00535 7/20 0.58
CDK5R1 Q15078 7/20 0.58
GSK3A P49840 2/20 0.58
GSK3B P49841 2/20 0.58
ZAP70 P43403 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK14 Q16539 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL20142430 0.90 GSK3A (0.61) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL4489714 0.89 MAPT (0.73) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL25609561 0.89 CCNA2 (0.67) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL20142386 0.88 GSK3A (0.75) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL20142440 0.87 GSK3A (0.77) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL20142355 0.87 CCNA2 (0.64) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL20142504 0.86 CCNA2 (0.49) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL20142286 0.85 ZAP70 (0.72) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL20142352 0.85 CCNA2 (0.77) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL25609597 0.84 MAPT (0.78) CCNA2CDK2MAPTCDK5CDK5R1

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