SCHEMBL20142368

SCHEMBL20142368

Cc1cccc(Nc2nc(N)c(C(=O)c3ccc(Cl)cc3)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
LMNA P02545 2/20 0.70
TP53 P04637 1/20 0.70
CDK5 Q00535 7/20 0.64
CDK5R1 Q15078 7/20 0.64
CCNA2 P20248 5/20 0.64
CDK2 P24941 5/20 0.64
CHRNA7 P36544 1/20 0.62
NPC1 O15118 2/20 0.61
GSK3A P49840 2/20 0.61
GSK3B P49841 2/20 0.61
RAB9A P51151 1/20 0.61
MAPK14 Q16539 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59

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
SCHEMBL20142432 0.90 CCNA2 (0.80) MAPTLMNATP53CDK5CDK5R1
SCHEMBL25609668 0.90 CCNA2 (0.77) MAPTLMNATP53CDK5CDK5R1
SCHEMBL31415148 0.90 CCNA2 (0.77) MAPTLMNATP53CDK5CDK5R1
SCHEMBL4395265 0.86 GSK3A (0.73) MAPTLMNATP53CDK5CDK5R1
SCHEMBL20142148 0.86 GSK3A (0.73) MAPTLMNATP53CDK5CDK5R1
SCHEMBL20142500 0.86 GSK3A (0.77) MAPTLMNATP53CDK5CDK5R1
SCHEMBL4404095 0.86 CCNA2 (0.82) MAPTLMNATP53CDK5CDK5R1
SCHEMBL20142844 0.85 MAPT (0.57) MAPTLMNATP53CDK5CDK5R1
SCHEMBL4398263 0.84 CDK5 (0.72) MAPTLMNATP53CDK5CDK5R1
SCHEMBL20142182 0.84 MAPT (0.82) MAPTLMNATP53CDK5CDK5R1

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