SCHEMBL20161340

SCHEMBL20161340

N=C(c1nc(Cn2ccnc2)n[nH]1)c1cccnc1NCc1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 4/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP19A1 P11511 2/20 0.35
TBXAS1 P24557 2/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL20161268 0.83 ACHE (0.36) KDM4ELMNAMEN1KMT2AAURKA
SCHEMBL20161209 0.80 AURKA (0.40) POLBKDM4ELMNASMN1; SMN2TP53
SCHEMBL20149081 0.78 KDM4E (0.38) POLBKDM4ELMNASMN1; SMN2TP53
SCHEMBL20161291 0.77 LMNA (0.39) POLBKDM4ELMNASMN1; SMN2TP53
SCHEMBL20161113 0.77 RPS6KB1 (0.41) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL20161118 0.75 CSNK1D (0.46) POLBKDM4ESMN1; SMN2MAPK1HTT
SCHEMBL20161518 0.74 CASP6 (0.43) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL20161335 0.73 KDM4E (0.37) POLBKDM4ELMNASMN1; SMN2TP53
SCHEMBL20161301 0.73 SMN1; SMN2 (0.55) LMNASMN1; SMN2TSHRHTTMEN1
SCHEMBL20161336 0.67 ALDH1A1 (0.39) POLBKDM4ELMNASMN1; SMN2TP53

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-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed