SCHEMBL11735541

SCHEMBL11735541

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
LATS1 O95835 2/20 0.33
LATS2 Q9NRM7 2/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PDE4A P27815 1/20 0.33
BCL6 P41182 1/20 0.32
PGK1 P00558 1/20 0.30

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
SCHEMBL9522570 0.82 KDM4E (0.38) KDM4EGAAPDE4A
SCHEMBL11092336 0.77 PGK1 (0.45) KDM4EGAAPGK1
SCHEMBL11735926 0.77 CCNB2 (0.38) KDM4EGAALATS1LATS2CCNE2
SCHEMBL11735611 0.75 CTSS (0.40) KDM4EGAAPGK1
SCHEMBL12235624 0.72 KDM4E (0.41) KDM4EGAAPDE4APGK1
SCHEMBL11742300 0.72 KDM4E (0.49) SLC29A1KDM4EGAA
SCHEMBL11736020 0.71 CRHR1 (0.41) KDM4EGAAPGK1
SCHEMBL11737286 0.71 KDM4E (0.48) SLC29A1KDM4EGAA
SCHEMBL11739761 0.70 CTSK (0.40) KDM4EGAALATS1LATS2PGK1
SCHEMBL15746612 0.69 SMN1; SMN2 (0.52) KDM4EGAAPGK1

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-4054655-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US claimed
US-4054655-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US disclosed