SCHEMBL176223

SCHEMBL176223

Cn1ccc2c(Nc3cc[nH]n3)nc(S(=O)(=O)Nc3ccc(F)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.41
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 3/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
LMNA P02545 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
HTT P42858 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL174796 0.86 KCNN3 (0.39) KCNN3JAK2JAK1JAK3ALDH1A1
SCHEMBL174444 0.75 KCNN3 (0.40) KCNN3JAK2JAK1JAK3ABL1
SCHEMBL255544 0.73 KCNN3 (0.39) KCNN3JAK2JAK1JAK3
SCHEMBL15377039 0.73 KCNN3 (0.39) KCNN3JAK2JAK1JAK3
SCHEMBL173477 0.73 HTR6 (0.33) KCNN3MAPTABL1ALDH1A1CYP3A4
SCHEMBL174720 0.72 SRC (0.31) KCNN3MAPTABL1CYP2C19RECQL
SCHEMBL174497 0.72 TP53 (0.32) KCNN3TP53LMNAABL1ALDH1A1
SCHEMBL174472 0.70 AURKA (0.44) JAK2JAK1JAK3CYP3A4CYP2C9
SCHEMBL176263 0.67 AURKA (0.45) MAPTJAK2JAK1JAK3CYP3A4
SCHEMBL13844997 0.65 MAPK10 (0.46) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed