SCHEMBL2103715

SCHEMBL2103715

Fc1cnc(Cl)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.75
AURKA O14965 2/20 0.64
AURKB Q96GD4 2/20 0.64
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 1/20 0.56
NR4A1 P22736 1/20 0.56
BCL6 P41182 1/20 0.54
FLT3 P36888 1/20 0.52
BTK Q06187 1/20 0.52
CDK2 P24941 3/20 0.51
CDK9 P50750 2/20 0.51
CCNT1 O60563 1/20 0.51
CCNE1 P24864 1/20 0.51
IGF1R P08069 1/20 0.50
PKMYT1 Q99640 1/20 0.50

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
SCHEMBL2061358 0.88 MAPT (0.62) SYKAURKAAURKBMAPTKDM4E
SCHEMBL657421 0.86 SYK (1.00) SYKAURKAAURKBSMN1; SMN2FLT3
SCHEMBL2101292 0.85 BCL6 (0.61) SYKAURKAAURKBMAPTMEN1
SCHEMBL18830272 0.85 MAPT (0.58) SYKAURKAAURKBMAPTKDM4E
SCHEMBL2105463 0.81 SYK (0.67) SYKBRD4
SCHEMBL656348 0.80 KDM1A (0.56) SYKAURKAAURKBMAPTMAPK1
SCHEMBL2062136 0.80 ALK (0.68) SYKAURKAAURKBMAPK1BCL6
SCHEMBL2103443 0.80 SYK (0.78) SYKAURKAAURKBMEN1KMT2A
SCHEMBL2104147 0.79 SYK (0.57) SYKMAPTKMT2ASMN1; SMN2FLT3
SCHEMBL27613038 0.79 AURKA (0.58) SYKAURKAAURKBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 WO disclosed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 WO disclosed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 CN disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed