SCHEMBL19020060

SCHEMBL19020060

CC(C(=O)O)n1ncc2cc(Oc3ccc(F)cc3C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 17/20 0.40
AR P10275 1/20 0.39
PLA2G7 Q13093 1/20 0.38
NR3C1 P04150 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36

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
SCHEMBL3781513 0.82 CHEK1 (0.45) SLC22A12ARPLA2G7CYP3A4CYP2C8
SCHEMBL2445697 0.81 AR (0.44) SLC22A12ARCYP3A4CYP2C8CYP2C9
SCHEMBL12216030 0.80 MAP4K4 (0.40) SLC22A12ARPLA2G7CYP2C9CYP2C19
SCHEMBL2440738 0.80 HTR2A (0.50) SLC22A12AR
SCHEMBL378727 0.78 SYK (0.43) SLC22A12PLA2G7
SCHEMBL2441913 0.78 GRIN2B (0.41) SLC22A12AR
SCHEMBL379029 0.76 MAP4K4 (0.46) SLC22A12ARCYP3A4CYP2C8CYP2C9
SCHEMBL12216031 0.76 AR (0.41) SLC22A12AR
SCHEMBL378721 0.76 HTR2A (0.46) SLC22A12AR
SCHEMBL2446966 0.76 AR (0.41) SLC22A12ARNR3C1

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
EP-2961744-B1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC (US) 2017-06-28 EP disclosed