SCHEMBL8720487

SCHEMBL8720487

CSc1nc(Oc2ccc(C(F)(F)F)cc2)cc(N(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
CDK11B P21127 1/20 0.42
FLT3 P36888 1/20 0.42
CDKL2 Q92772 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNNI3K Q59H18 1/20 0.40
LIPE Q05469 9/20 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
SCHEMBL8720486 0.86 MAPT (0.46) MEN1HTTKMT2AKDM4EMAPT
SCHEMBL8720537 0.78 CTSK (0.43) KDM4EMAPTL3MBTL1LMNANPSR1
SCHEMBL8722832 0.77 BRAF (0.45) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL8723515 0.77 SLC6A2 (0.43) KMT2AKDM4EMAPTL3MBTL1LMNA
SCHEMBL29608122 0.76 KDM4E (0.50) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL8720669 0.73 HTT (0.44) MEN1HTTKMT2AKDM4EMAPT
SCHEMBL23221440 0.69 SLC6A2 (0.40) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL8667374 0.68 MAPT (0.48) MEN1HTTKMT2AKDM4EMAPT
SCHEMBL8672947 0.68 MAPT (0.50) MEN1HTTKMT2AKDM4EMAPT
SCHEMBL8666887 0.68 MAPT (0.47) MEN1HTTKMT2AKDM4EMAPT

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-0700391-B1 HERBICIDAL COMPOUNDS SHELL INT RESEARCH (NL) 1998-10-21 EP disclosed
US-5759956-A PYRAZINE CARBOXAMIDE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
EP-0700391-A1 HERBICIDAL COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-03-13 EP disclosed
WO-1994027974-A1 HERBICIDAL COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-12-08 WO disclosed