SCHEMBL3396008

SCHEMBL3396008

Cc1cc(C#N)ccc1-c1ccnc(N(C)c2cc(-c3ccc(O)cc3)[nH]n2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 4/20 0.43
KCNH2 Q12809 6/20 0.41
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
S1PR1 P21453 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FGFR1 P11362 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MMP3 P08254 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 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
SCHEMBL3432960 0.91 KCNH2 (0.43) TNIKKCNH2EGLN2CYP11B1CYP11B2
SCHEMBL3426389 0.90 KCNH2 (0.43) TNIKKCNH2EGLN2EGLN1S1PR1
Hydrochloric Acid SCHEMBL3432843 0.90 KCNH2 (0.42) TNIKKCNH2EGLN2CYP11B1CYP11B2
SCHEMBL3427227 0.90 KCNH2 (0.42) TNIKKCNH2EGLN2CYP11B1CYP11B2
SCHEMBL3434735 0.89 KCNH2 (0.40) TNIKKCNH2EGLN2EGLN1CYP11B1
SCHEMBL3394274 0.87 KCNH2 (0.43) KCNH2EGLN2S1PR1
SCHEMBL3393634 0.86 KCNH2 (0.39) TNIKKCNH2EGLN2EGLN1DRD1
SCHEMBL3434686 0.85 KCNH2 (0.44) KCNH2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3395604 0.84 KCNH2 (0.43) KCNH2CYP11B1CYP11B2
SCHEMBL3392062 0.83 KCNH2 (0.54) KCNH2EGLN2

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed