SCHEMBL13634362

SCHEMBL13634362

CC1(C)COCCN1Cc1ccc(N)c(C(=O)Nc2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
GSK3B P49841 1/20 0.48
PTPN11 Q06124 1/20 0.45
KMT2A Q03164 1/20 0.44
NAMPT P43490 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
FAAH O00519 3/20 0.43
CYP2D6 P10635 1/20 0.43
GRM2 Q14416 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
BACE1 P56817 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
LRRK2 Q5S007 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL13163122 0.90 CDK2 (0.44) CCNE2CCNE1CDK2GSK3BPTPN11
SCHEMBL13638850 0.89 KMT2A (0.42) CCNE2CCNE1CDK2GSK3BPTPN11
SCHEMBL13162588 0.89 MAPT (0.45) KMT2AALDH1A1CYP11B1CYP11B2LMNA
SCHEMBL15888569 0.88 CCNE2 (0.45) CCNE2CCNE1CDK2GSK3BPTPN11
SCHEMBL13163944 0.85 HIF1A (0.51) CCNE2CCNE1CDK2GSK3BKMT2A
SCHEMBL13634715 0.82 IRAK4 (0.44) CDK2PTPN11KMT2ANAMPTALDH1A1
SCHEMBL13162254 0.80 FAAH (0.53) CCNE2CCNE1CDK2GSK3BPTPN11
SCHEMBL13163941 0.78 ALDH1A1 (0.53) KMT2AALDH1A1GRM2JAK2JAK1
SCHEMBL13634878 0.78 IRAK4 (0.43) GRM2JAK2JAK1LRRK2
SCHEMBL13634408 0.77 GRM2 (0.43) KMT2AALDH1A1GRM2JAK2JAK1

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed