SCHEMBL20161335

SCHEMBL20161335

N=C(c1nc(C2CN(CCF)C2)n[nH]1)c1cccnc1NCc1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 2/20 0.33
EGFR P00533 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTRK1 P04629 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
STAT6 P42226 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL20161209 0.79 AURKA (0.40) KDM4EAURKARPS6KB1KMT2AMEN1
SCHEMBL20149081 0.77 KDM4E (0.38) KDM4EAURKARPS6KB1KMT2AMEN1
SCHEMBL20161291 0.77 LMNA (0.39) KDM4EAURKARPS6KB1KMT2AMEN1
SCHEMBL20161118 0.76 CSNK1D (0.46) KDM4EPOLBGAASMN1; SMN2STAT6
SCHEMBL20161113 0.74 RPS6KB1 (0.41) KDM4EAURKARPS6KB1KMT2AMEN1
SCHEMBL20161518 0.74 CASP6 (0.43) KDM4EAURKARPS6KB1KMT2AMEN1
SCHEMBL20161268 0.73 ACHE (0.36) KDM4EAURKARPS6KB1KMT2AMEN1
SCHEMBL20161340 0.73 CYP11B1 (0.35) KDM4EAURKARPS6KB1KMT2AMEN1
SCHEMBL20161301 0.72 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL20140373 0.68 PDE5A (0.45) ADORA3

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