SCHEMBL4232115

SCHEMBL4232115

O=C(Nc1ccc2cnncc2c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.61
RAB9A P51151 9/20 0.61
PLAU P00749 2/20 0.61
JAK2 O60674 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
KCNK3 O14649 3/20 0.59
KCNK9 Q9NPC2 1/20 0.59
ALDH1A1 P00352 1/20 0.58
F2 P00734 1/20 0.58
PLG P00747 1/20 0.58
KLKB1 P03952 1/20 0.58
PRSS1 P07477 1/20 0.58
PABPC1 P11940 1/20 0.58
KDR P35968 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
PTPN1 P18031 1/20 0.54

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
SCHEMBL14493609 0.84 PLAU (0.65) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL28347348 0.83 NPC1 (0.70) NPC1RAB9APLAUJAK2MEN1
SCHEMBL3111893 0.83 IMPDH2 (0.72) NPC1RAB9APLAUJAK2MEN1
SCHEMBL2229842 0.83 NPC1 (0.76) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL3503370 0.78 NPC1 (0.84) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL3899214 0.77 NPC1 (0.56) NPC1RAB9APLAUJAK2MEN1
SCHEMBL126415 0.76 PTPN1 (0.87) NPC1RAB9AJAK2MEN1KMT2A
SCHEMBL14418574 0.76 KDM4E (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3378320 0.76 RAB9A (0.80) NPC1RAB9AJAK2SMN1; SMN2MAPT
SCHEMBL3380296 0.76 NPC1 (1.00) NPC1RAB9AJAK2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 WO disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed