SCHEMBL20141898

SCHEMBL20141898

Nc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.71
CDK5R1 Q15078 9/20 0.71
CCNA2 P20248 9/20 0.65
CDK2 P24941 9/20 0.65
MAPT P10636 2/20 0.64
NPC1 O15118 3/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
RAB9A P51151 1/20 0.62
MAPK14 Q16539 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60

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
SCHEMBL25609597 0.91 MAPT (0.78) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL20141966 0.89 MAPT (0.66) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL25609624 0.89 CDK5 (0.77) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL20142491 0.88 CDK5 (0.65) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL7756943 0.88 MAPT (0.78) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL25609551 0.88 CDK5 (0.91) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL20142395 0.88 CCNA2 (0.77) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL20142140 0.86 CDK5 (0.69) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL20142386 0.85 GSK3A (0.75) CDK5CDK5R1CCNA2CDK2MAPT
SCHEMBL20142105 0.85 CDK5 (0.67) CDK5CDK5R1CCNA2CDK2MAPT

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