SCHEMBL20142841

SCHEMBL20142841

Cc1ccc(Nc2nc(N(C)C)c(C(=O)c3ccccc3)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
CCNA2 P20248 3/20 0.56
CDK2 P24941 3/20 0.56
CDK5 Q00535 3/20 0.56
CDK5R1 Q15078 3/20 0.56
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
MAPK14 Q16539 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ADORA2B P29275 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ADORA3 P0DMS8 4/20 0.50

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
SCHEMBL20142267 0.89 GSK3A (0.51) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142179 0.88 GSK3A (0.53) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142409 0.88 GSK3A (0.53) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142075 0.88 CCNA2 (0.59) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142448 0.85 GSK3A (0.73) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142417 0.84 CCNA2 (0.57) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142835 0.84 GSK3A (0.57) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142420 0.84 CDK5 (0.51) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142253 0.82 CCNA2 (0.82) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20142502 0.80 MEN1 (0.64) MAPTNPC1RAB9AALDH1A1POLB

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