SCHEMBL15380931

SCHEMBL15380931

c1ccc(Nc2ncc3ccnc-3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NPY5R Q15761 3/20 0.39
HPGDS O60760 3/20 0.38
PRKCD Q05655 2/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
PRKCA P17252 1/20 0.38
AURKA O14965 2/20 0.38
PIM1 P11309 2/20 0.38
CHEK1 O14757 1/20 0.38
IKBKB O14920 1/20 0.38
NPC1 O15118 1/20 0.38
PDPK1 O15530 1/20 0.38
CHEK2 O96017 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
SCHEMBL6882457 0.84 MAPK10 (0.49) MEN1KMT2APOLBMAPTEGFR
SCHEMBL6906114 0.73 POLB (0.46) MEN1KMT2APOLBTAAR1MAPT
SCHEMBL30083304 0.73 PIN1 (0.37) NPY5RHPGDSABL1GSK3B
SCHEMBL1070820 0.70 MMP1 (0.37) MAPK1
SCHEMBL2282586 0.70 TAAR1 (0.59) MEN1KMT2APOLBTAAR1MAPT
SCHEMBL2320860 0.68 PNP (0.46) MEN1KMT2AMAPTPRKCDABL1
SCHEMBL12015936 0.68 MEN1 (0.51) MEN1KMT2APOLBTAAR1MAPT
SCHEMBL6882204 0.67 SCN2A (0.46) MEN1KMT2AMAPTNPY5RNPC1
SCHEMBL994128 0.67 MEN1 (0.50) MEN1KMT2APOLBTAAR1MAPT
SCHEMBL11275747 0.67 POLB (0.46) MEN1KMT2APOLBTAAR1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303563-A1 TREATMENT OF PERITONEAL INJURY USING JAK INHIBITORS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2013-11-14 US claimed
US-20160193203-A1 TREATMENT OF PERITONEAL INJURY USING JAK INHIBITORS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2016-07-07 US disclosed
US-9198900-B2 Treatment of peritoneal injury using JAK inhibitors LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2015-12-01 US disclosed
US-20130303563-A1 TREATMENT OF PERITONEAL INJURY USING JAK INHIBITORS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2013-11-14 US disclosed