SCHEMBL9565652

SCHEMBL9565652

CSc1nc(-c2ccc(F)cc2)nc(-c2ccccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
FFAR1 O14842 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
GRM5 P41594 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.42
TGFBR1 P36897 1/20 0.42
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL9565642 0.86 L3MBTL1 (0.52) KDM4ETDP1FFAR1HSP90AA1HSP90AB1
SCHEMBL9565604 0.81 KDM4E (0.53) KDM4ETDP1FFAR1HSP90AA1L3MBTL1
SCHEMBL9565651 0.81 KDM4E (0.56) KDM4ETDP1FFAR1L3MBTL1GRM5
SCHEMBL9565619 0.80 KDM4E (0.51) KDM4ETDP1FFAR1HSP90AA1L3MBTL1
SCHEMBL12974970 0.77 KMT2A (0.57) KDM4EL3MBTL1ALDH1A1HTTKMT2A
SCHEMBL9565645 0.77 KDM4E (0.55) KDM4ETDP1FFAR1L3MBTL1GRM5
SCHEMBL11187544 0.76 KDM4E (0.53) KDM4ETDP1HSP90AA1HSP90AB1L3MBTL1
SCHEMBL1704219 0.76 KDM4E (0.69) KDM4ETDP1HSP90AA1HSP90AB1L3MBTL1
SCHEMBL12628228 0.75 KDM4E (0.67) KDM4ETDP1L3MBTL1GRM5ALDH1A1
SCHEMBL22043746 0.75 TP53 (0.67) KDM4ETDP1L3MBTL1GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240926-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
EP-0529468-A1 Substituted pyridyltriazines, process for their preparation, their use and intermediates BAYER AG (DE) 1993-03-03 EP disclosed