SCHEMBL10816526

SCHEMBL10816526

CCCCCc1nnc(OC)nc1CCCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALOX5 P09917 4/20 0.34
▸ PTGS2 P35354 4/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CACNA2D1 P54289 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
SCHEMBL10818337 0.76 KMT2A (0.37) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL4949768 0.74 GPR84 (0.47) MEN1KMT2AKCNH2CYP1A2ALDH1A1
SCHEMBL10816555 0.72 MEN1 (0.37) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL3662375 0.72 DHFR (0.45) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL10815973 0.72 MEN1 (0.37) MEN1KMT2APTGS2KCNH2ALDH1A1
SCHEMBL15305982 0.70 ALOX5 (0.42) ALOX5PTGS2PDE10AALDH1A1MAPT
SCHEMBL3265562 0.69 MEN1 (0.39) MEN1KMT2APTGS2KCNH2ALDH1A1
SCHEMBL10858339 0.69 MEN1 (0.35) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL19625907 0.68 KCNH2 (0.46) MEN1KMT2AKCNH2ALDH1A1THRB
SCHEMBL26393934 0.67 CASP3 (0.51) MEN1KMT2APTGS2CYP1A2ALDH1A1

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
EP-0088593-B1 1,2,4-TRIAZINE AND PYRAZINE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-05-27 — — EP disclosed
EP-0088593-A2 1,2,4-Triazine and pyrazine derivatives ELI LILLY AND COMPANY (US) 1983-09-14 — — EP disclosed
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