SCHEMBL20142075

SCHEMBL20142075

Cc1ccc(Nc2nc(N(C)C)c(C(=O)c3cccnc3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.59
CDK2 P24941 7/20 0.59
CDK5 Q00535 7/20 0.56
CDK5R1 Q15078 7/20 0.56
CCNE1 P24864 1/20 0.55
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL20142497 0.88 CCNA2 (0.55) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142841 0.88 MAPT (0.63) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL20142267 0.86 GSK3A (0.51) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL20142498 0.85 CCNA2 (0.52) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142387 0.84 CCNA2 (0.81) CCNA2CDK2CDK5CDK5R1CCNE1
SCHEMBL20142409 0.81 GSK3A (0.53) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL20142179 0.81 GSK3A (0.53) CDK5CDK5R1NPC1ALDH1A1POLB
SCHEMBL20142835 0.79 GSK3A (0.57) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL20142420 0.79 CDK5 (0.51) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL20142448 0.78 GSK3A (0.73) CCNA2CDK2CDK5CDK5R1NPC1

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