SCHEMBL7367411

SCHEMBL7367411

O=C(C=Cc1ccccc1Cl)Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
EGFR P00533 4/20 0.44
BTK Q06187 3/20 0.44
ITK Q08881 1/20 0.44
MAPT P10636 9/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL8054272 1.00 NPC1 (0.48) NPC1RAB9AEGFRBTKITK
SCHEMBL6797143 0.96 NPC1 (0.51) NPC1RAB9AEGFRBTKITK
SCHEMBL6797146 0.96 NPC1 (0.51) NPC1RAB9AEGFRBTKITK
SCHEMBL6792976 0.90 EGFR (0.46) EGFRBTKITKMAPTFLT3
SCHEMBL6792982 0.90 EGFR (0.46) EGFRBTKITKMAPTFLT3
SCHEMBL7360146 0.89 EGFR (0.43) NPC1RAB9AEGFRBTKITK
SCHEMBL8064822 0.89 EGFR (0.43) NPC1RAB9AEGFRBTKITK
SCHEMBL7360140 0.89 EGFR (0.43) NPC1RAB9AEGFRBTKITK
SCHEMBL7361360 0.89 EGFR (0.43) NPC1RAB9AEGFRBTKITK
Hydrochloric Acid SCHEMBL6796140 0.89 EGFR (0.47) NPC1RAB9AEGFRBTKITK

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
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed