SCHEMBL4656608

SCHEMBL4656608

N=C(N)Nc1ccc(I)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F10 P00742 2/20 0.35
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
PTK2 Q05397 1/20 0.33
NNMT P40261 1/20 0.33
EDNRA P25101 1/20 0.31
EPHX2 P34913 1/20 0.31
HCAR3 P49019 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PTGS1 P23219 2/20 0.30
NPC1 O15118 2/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL28707116 0.86 RAB9A (0.38) RAB9AMAPTL3MBTL1F10HCAR3
Trifluoroacetic Acid SCHEMBL29544120 0.86 RAB9A (0.38) RAB9AMAPTL3MBTL1F10HCAR3
SCHEMBL2781800 0.81 NPSR1 (0.37) RAB9AMAPTL3MBTL1ADRA2AADRA2B
SCHEMBL6625494 0.81 RAB9A (0.43) RAB9AMAPTL3MBTL1PTK2NNMT
SCHEMBL19173050 0.78 PTGS1 (0.47) RAB9AMAPTL3MBTL1F10ADRA2A
SCHEMBL29557328 0.77 GRM5 (0.43) RAB9AF10NPC1
Hydrochloric Acid SCHEMBL7244962 0.77 PTGS1 (0.46) RAB9AMAPTL3MBTL1ADRA2AADRA2B
SCHEMBL29557349 0.77 RAB9A (0.61) RAB9AMAPTL3MBTL1ADRA2AADRA2B
SCHEMBL29557123 0.77 RAB9A (0.50) RAB9AMAPTNPC1CASP3SENP7
SCHEMBL29557105 0.77 L3MBTL1 (0.61) RAB9AMAPTL3MBTL1F10ADRA2A

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
CN-114269742-B Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amine as therapeutic agents 常州千红生化制药股份有限公司 2024-07-16 CN disclosed
CN-114269742-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amines as therapeutic agents 常州千红生化制药股份有限公司 2022-04-01 CN disclosed
EP-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed