SCHEMBL213392

SCHEMBL213392

NC(=O)c1nc(-c2ccccn2)[nH]c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
METAP1 P53582 4/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 3/20 0.46
HPGD P15428 3/20 0.46
MTOR P42345 1/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
PARP1 P09874 1/20 0.45
DHODH Q02127 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45

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
SCHEMBL11478271 0.85 CBFB (0.47) METAP2NPC1RAB9AMETAP1LMNA
SCHEMBL13729712 0.81 ERCC1 (0.56) NPC1RAB9ALMNASMN1; SMN2HPGD
SCHEMBL11881087 0.80 PIN1 (0.64) METAP2NPC1RAB9AMETAP1LMNA
Oxalic Acid SCHEMBL28350889 0.78 PIN1 (0.60) METAP2NPC1RAB9AMETAP1LMNA
SCHEMBL28350887 0.74 PIN1 (0.49) METAP2NPC1RAB9AMETAP1LMNA
SCHEMBL3112137 0.74 NPC1 (0.49) NPC1RAB9ALMNASMN1; SMN2PKM
SCHEMBL13726218 0.74 KMT2A (0.47) METAP2NPC1RAB9AMETAP1LMNA
SCHEMBL10679715 0.73 OPRK1 (0.54) METAP2NPC1RAB9AMETAP1LMNA
SCHEMBL10647635 0.73 PIN1 (0.65) METAP2NPC1RAB9AMETAP1LMNA
SCHEMBL13982947 0.73 KDM4E (0.50) METAP2NPC1RAB9AMETAP1LMNA

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed