SCHEMBL28016362

SCHEMBL28016362

O=C(NCc1ncccn1)c1cnc(Cl)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HTT P42858 1/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CHRM4 P08173 1/20 0.40
PDE5A O76074 4/20 0.40
EGLN1 Q9GZT9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ADORA2A P29274 1/20 0.38
NSD2 O96028 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15759019 0.76 KMT2A (0.51) HTTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL14769150 0.76 RXFP1 (0.52) HPGDALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL10167973 0.76 NFKB1 (0.52) JUNNFKB1NFKB2RELA
SCHEMBL4760382 0.75 NFKB1 (0.56) JUNNFKB1NFKB2RELAMAPT
SCHEMBL5570021 0.74 NFKB1 (0.54) JUNNFKB1NFKB2RELA
SCHEMBL12519684 0.73 HPGD (0.54) HPGDALDH1A1SMN1; SMN2LMNAEGLN1
SCHEMBL6990873 0.73 NFKB1 (0.57) JUNNFKB1NFKB2RELALMNA
SCHEMBL8544541 0.73 JUN (0.67) JUNNFKB1NFKB2RELAHPGD
SCHEMBL30498347 0.72 NFKB1 (0.49) JUNNFKB1NFKB2RELA
SCHEMBL28139992 0.70 P2RX7 (0.57) HTTHPGDALDH1A1SMN1; SMN2LMNA

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
CN-104650045-A Preparation method of avanafil SUZHOU WANGSHAN WANGSHUI BIOMEDICAL CO LTD 2015-05-27 CN disclosed