SCHEMBL16487150

SCHEMBL16487150

Cc1ccnc(-c2cccnc2N(C)C(C)C)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
PTPRC P08575 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
TDP2 O95551 4/20 0.34
NSD2 O96028 2/20 0.34
S100A4 P26447 1/20 0.34
G6PD P11413 1/20 0.34
CDC25B P30305 1/20 0.34
DUSP3 P51452 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TGFBR1 P36897 3/20 0.34
THRB P10828 2/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 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
SCHEMBL16487154 0.82 MKNK1 (0.44) MKNK1MKNK2TDP2NSD2G6PD
SCHEMBL5838644 0.72 KDM4E (0.46) TGFBR1BLMMEN1KMT2AGAA
SCHEMBL16487050 0.70 IKBKB (0.44)
SCHEMBL4307223 0.69 CDC7 (0.48) TDP1CYP3A4ALOX15TSHR
SCHEMBL14818774 0.69 NOS3 (0.42) MEN1KMT2AKCNH2
SCHEMBL27907482 0.68 MEN1 (0.54) TDP1MEN1KMT2AGAATSHR
SCHEMBL4321035 0.67 L3MBTL1 (0.45) NSD2TDP1MEN1KMT2ACYP3A4
SCHEMBL4301998 0.67 SCN9A (0.47) CYP3A4
SCHEMBL23116461 0.65 SIRT3 (0.41) TDP1
SCHEMBL31158265 0.65 SIRT3 (0.41) TDP1

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
EP-3033336-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2016-06-22 EP disclosed
WO-2015022546-A1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-02-19 WO disclosed