SCHEMBL13634715

SCHEMBL13634715

CC1(C)COCCN1Cc1ccc(NC(=O)c2coc(N3CCOCC3)n2)c(C(=O)Nc2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.44
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.39
AKT1 P31749 1/20 0.38
MAPK14 Q16539 1/20 0.38
GRM2 Q14416 1/20 0.38
PTPN11 Q06124 1/20 0.38
ACKR3 P25106 1/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK2 P24941 1/20 0.38
AURKB Q96GD4 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL13634699 0.86 IRAK4 (0.50) IRAK4JAK2JAK1GRM2MAPT
SCHEMBL13634721 0.84 IRAK4 (0.49) IRAK4JAK2JAK1ALDH1A1AKT1
SCHEMBL13634720 0.84 IRAK4 (0.47) IRAK4JAK2JAK1KMT2AMEN1
SCHEMBL13634550 0.83 IRAK4 (0.46) IRAK4JAK2JAK1GRM2F10
SCHEMBL13638816 0.83 IRAK4 (0.46) IRAK4JAK2JAK1KMT2AMEN1
SCHEMBL13634362 0.82 CCNE2 (0.48) JAK2JAK1KMT2AALDH1A1HTT
SCHEMBL2770583 0.82 F10 (0.49) IRAK4KMT2AMEN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2771393 0.81 F10 (0.48) IRAK4KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13634878 0.80 IRAK4 (0.43) IRAK4JAK2JAK1GRM2PIK3CA
SCHEMBL13634581 0.80 ACKR3 (0.42) IRAK4SMN1; SMN2ACKR3AURKACDK1

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