SCHEMBL20161096

SCHEMBL20161096

N=C(c1nc(N)c(N2CCOCC2)c(N)n1)c1cccnc1NCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 10/20 0.47
CSNK1D P48730 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
ABCB1 P08183 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
PTK2 Q05397 1/20 0.36
CYP2A13 Q16696 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
SCHEMBL24555967 0.86 STAT6 (0.43) STAT6CSNK1DKDM4EGAAALOX15
SCHEMBL22874060 0.82 AURKA (0.43) KDM4EGAASMN1; SMN2
SCHEMBL20161118 0.80 CSNK1D (0.46) STAT6CSNK1DKDM4EMAPTGAA
SCHEMBL22213515 0.76 LMNA (0.38) KDM4EGAAALDH1A1SMN1; SMN2PTK2
SCHEMBL19240910 0.76 AURKA (0.37) STAT6KDM4EGAAALDH1A1
SCHEMBL17517364 0.76 KCNH2 (0.53) SMN1; SMN2
SCHEMBL19241027 0.75 RPS6KB1 (0.37) KDM4EALOX15ALDH1A1
SCHEMBL15987095 0.72 LMNA (0.38) KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19146434 0.72 LMNA (0.35) KDM4EMAPTALDH1A1SMN1; SMN2PTK2
SCHEMBL24555994 0.71 GAA (0.35) STAT6KDM4EMAPTGAAALOX15

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
EP-4233851-A1 A SOLUBLE GUANYLAT CYCLASE ACTIVATOR FOR TREATING CHRONIC VASCULAR DYSFUNCTION Charité - Universitätsmedizin Berlin (DE) 2023-08-30 EP disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed