SCHEMBL14435933

SCHEMBL14435933

CC(=O)Nc1ccc(Oc2ccc(F)cc2C#N)cc1C=N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 13/20 0.53
▸ HPGD P15428 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ AR P10275 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL14437176 0.85 PLA2G7 (0.41) PLA2G7HPGDTP53HSD17B10AR
SCHEMBL19057972 0.83 AR (0.42) PLA2G7ARSLC22A12
SCHEMBL19057964 0.82 AR (0.41) PLA2G7ARSLC22A12
SCHEMBL14437173 0.80 AR (0.52) PLA2G7ARSLC22A12
SCHEMBL19057971 0.78 AR (0.47) PLA2G7ARSLC22A12
SCHEMBL24022846 0.75 MOK (0.47) PLA2G7SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7123049 0.74 PLA2G7 (0.51) PLA2G7HPGDTP53NPSR1HSD17B10
SCHEMBL17407526 0.73 AR (0.50) ARSLC22A12
SCHEMBL2527810 0.73 ALDH1A1 (0.48) PLA2G7LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5949965 0.71 AR (0.56) PLA2G7ARSLC22A12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007089646-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-08-09 — — WO disclosed
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