SCHEMBL9522570

SCHEMBL9522570

CC(C)(C)Nc1nc(C#N)c(C#N)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
PDE4A P27815 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GLP1R P43220 1/20 0.32
PIM1 P11309 2/20 0.31
PIM2 Q9P1W9 2/20 0.31

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
SCHEMBL11735926 0.82 CCNB2 (0.38) KDM4EGAAPDE4A
SCHEMBL11735541 0.82 SLC29A1 (0.35) KDM4EGAAPDE4A
SCHEMBL9520382 0.78 LMNA (0.39) KDM4EGAALMNAPOLBHTT
SCHEMBL12235624 0.78 KDM4E (0.41) KDM4EGAALMNASMN1; SMN2PDE4A
SCHEMBL9519918 0.77 LMNA (0.34) LMNASMN1; SMN2POLBHTT
SCHEMBL11735611 0.77 CTSS (0.40) KDM4EGAA
SCHEMBL11092336 0.74 PGK1 (0.45) KDM4EGAALMNA
SCHEMBL17008720 0.73 HTT (0.41) KDM4EGAALMNAHTT
SCHEMBL29693655 0.71 KDM4E (0.48) KDM4EGAASMN1; SMN2POLB
SCHEMBL2383543 0.71 KDM4E (0.48) KDM4EGAASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054655-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US claimed
EP-0308895-B1 DICYANOPYRAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND FUNGICIDE HODOGAYA CHEMICAL CO., LTD. (JP) 1993-06-16 EP disclosed
US-5093335-A Agricultural and horticultural HODOGAYA CHEMICAL COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0308895-A1 Dicyanopyrazine compounds, process for their preparation and fungicide HODOGAYA CHEMICAL CO., LTD. (JP) 1989-03-29 EP disclosed
US-4054655-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US disclosed
US-4054655-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US disclosed