SCHEMBL28147703

SCHEMBL28147703

c1ccc(-c2cncc3cnccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
PRKCZ Q05513 3/20 0.53
HASPIN Q8TF76 1/20 0.49
RPS6KA3 P51812 3/20 0.44
NOTUM Q6P988 1/20 0.43
DYRK1A Q13627 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
AURKA O14965 2/20 0.41
CDK1 P06493 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
CHEK2 O96017 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL30711433 1.00 TNF (0.55) TNFPRKCZHASPINRPS6KA3NOTUM
SCHEMBL29501875 0.83 PRKCZ (0.72) TNFPRKCZAURKBCYP1A2CYP3A4
SCHEMBL6243938 0.83 PRKCZ (0.72) TNFPRKCZAURKBCYP1A2CYP3A4
SCHEMBL6998015 0.82 TNF (0.73) TNFPRKCZHASPINSLC22A12CYP1A2
SCHEMBL12074301 0.80 PRKCZ (0.73) TNFPRKCZAURKBCYP1A2CYP3A4
SCHEMBL12074747 0.79 TNF (0.69) TNFPRKCZHASPINNOTUMSLC22A12
SCHEMBL9824826 0.78 TNF (0.58) TNFPRKCZHASPINNOTUMKDM4C
SCHEMBL30911309 0.77 CYP11B1 (0.64) PRKCZSLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL27404900 0.77 CYP11B1 (0.64) PRKCZSLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL17691562 0.77 KDM4E (0.50) TNFPRKCZHASPINRPS6KA3CYP1A2

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
CN-105153156-B A kind of naphthyridines 1 of 4 phenyl 2,7(2H)The preparation method of ketone 徐峰 2017-07-28 CN claimed
CN-105153156-B A kind of naphthyridines 1 of 4 phenyl 2,7(2H)The preparation method of ketone 徐峰 2017-07-28 CN disclosed