SCHEMBL19930278

SCHEMBL19930278

CCOC(=O)/C=C/c1cc2ccccc2n1CC(O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.38
NOD1 Q9Y239 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 2/20 0.37
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL2239999 0.81 KDM4E (0.42) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL12355545 0.79 MEN1 (0.48) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL6364105 0.78 LMNA (0.45) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL6364102 0.78 LMNA (0.45) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7135262 0.76 TTR (0.45) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7135266 0.76 TTR (0.45) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL13448721 0.74 OXER1 (0.42) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL23944952 0.73 ALDH1A1 (0.41) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL5353398 0.73 ABCC2 (0.43) KDM4ESMN1; SMN2
SCHEMBL5353392 0.73 ABCC2 (0.43) KDM4ESMN1; SMN2

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-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
EP-3290419-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-07 EP disclosed