SCHEMBL7150739

SCHEMBL7150739

CCCCCNc1ccc(Br)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.59
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
CNR2 P34972 1/20 0.46
ATM Q13315 1/20 0.46
PKM P14618 2/20 0.45
GBA1 P04062 1/20 0.45
SSTR4 P31391 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DNM2 P50570 2/20 0.42

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
SCHEMBL22795638 0.95 RAB9A (0.61) HCAR3RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL12963036 0.87 HCAR3 (0.56) HCAR3RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10632091 0.81 HRH3 (0.47) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL28152938 0.81 RAB9A (0.50) HCAR3RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL29969091 0.80 EGFR (0.50) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL21512515 0.80 EGFR (0.50) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL503269 0.80 NPC1 (0.55) HCAR3RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL22265370 0.79 HCAR3 (0.59) HCAR3RAB9AKDM4EALDH1A1CNR2
SCHEMBL7154180 0.79 HCAR3 (0.59) HCAR3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15828788 0.79 NPC1 (0.48) HCAR3RAB9ANPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453512-A Bromination of acylaminopyridine with 2-acylaminopyridinium hydorbromide ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-09-26 US claimed
EP-0530524-A1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1993-03-10 EP claimed
WO-2020248972-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-12-17 WO disclosed
CN-106632016-A Synthesis method of 2-acetamido-5-bromopyridine 山东友帮生化科技有限公司 2017-05-10 CN disclosed
EP-0530524-B1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI KAGAKU KK (JP) 2003-02-05 EP disclosed
US-5453512-A Bromination of acylaminopyridine with 2-acylaminopyridinium hydorbromide ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-09-26 US disclosed
US-5290943-A Halogenation of pyridine compound ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1994-03-01 US disclosed
EP-0530524-A1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1993-03-10 EP disclosed