SCHEMBL20142836

SCHEMBL20142836

Cc1cccc(Nc2nc(N(C)C)c(C(=O)c3cccc(Cl)c3)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.58
CDK2 P24941 3/20 0.58
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 7/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
CHRNA7 P36544 2/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
CDK5 Q00535 5/20 0.46
CDK5R1 Q15078 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM1A O60341 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL20142844 0.91 MAPT (0.57) CCNA2CDK2KDM4ERAB9ASMN1; SMN2
SCHEMBL20142432 0.85 CCNA2 (0.80) CCNA2CDK2RAB9AMAPTLMNA
SCHEMBL20142094 0.85 RAB9A (0.50) CCNA2CDK2KDM4ERAB9ASMN1; SMN2
SCHEMBL20142185 0.84 CDK5 (0.60) CCNA2CDK2MAPTLMNANPC1
SCHEMBL20142492 0.82 GSK3A (0.57) CCNA2CDK2KDM4ERAB9ASMN1; SMN2
SCHEMBL20142189 0.81 CCNA2 (0.52) CCNA2CDK2KDM4EMAPTLMNA
SCHEMBL20142179 0.77 GSK3A (0.53) RAB9ASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL20142841 0.77 MAPT (0.63) CCNA2CDK2RAB9ASMN1; SMN2MAPT
SCHEMBL20142835 0.76 GSK3A (0.57) CCNA2CDK2RAB9ASMN1; SMN2MAPT
SCHEMBL20142200 0.75 CCNA2 (0.81) CCNA2CDK2RAB9AMAPTLMNA

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