SCHEMBL17580256

SCHEMBL17580256

CC(C)n1nc(C2CC2)cc1NC=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALK Q9UM73 3/20 0.35
▸ RET P07949 6/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNJ6 P48051 4/20 0.33
▸ KCNJ3 P48549 4/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ KCNJ5 P48544 1/20 0.31
▸ IDO1 P14902 1/20 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
SCHEMBL17580560 0.90 MAP3K14 (0.41) ALKRETMAP3K14
SCHEMBL14375500 0.81 KDM4E (0.40) KDM4EKMT2ARETCYP3A4GAA
SCHEMBL19650841 0.78 KDM4E (0.39) KDM4EKMT2ARET
SCHEMBL17580428 0.76 KCNJ6 (0.40) GAAKCNJ6KCNJ3KCNJ5
SCHEMBL13923328 0.76 MAPK13 (0.33) KDM4EGAAKCNJ6KCNJ3KCNJ5
SCHEMBL19091627 0.74 KDM4E (0.40) KDM4EKMT2ARETOPRM1OPRD1
SCHEMBL18055557 0.72 KDM4E (0.38) KDM4EKMT2ARET
SCHEMBL6887721 0.72 MAP3K12 (0.40) KDM4EKMT2ARET
SCHEMBL17580180 0.71 KCNJ6 (0.55) KCNJ6KCNJ3KCNJ5
SCHEMBL21178704 0.70 KDM4E (0.38) KDM4EKMT2ARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 — — EP disclosed
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