SCHEMBL20040321

SCHEMBL20040321

CCc1ccc(-c2cnc(N3CCOC(C)C3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.42
▸ AOC3 Q16853 2/20 0.40
▸ MET P08581 4/20 0.39
▸ GAK O14976 3/20 0.38
▸ LRRK2 Q5S007 4/20 0.37
▸ WDR5 P61964 3/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL20040479 0.79 MET (0.49) AOC3METFGFR2FGFR3ACVR1
SCHEMBL22854288 0.78 ALDH1A1 (0.44) —
SCHEMBL19496746 0.76 AOC3 (0.59) AOC3
SCHEMBL13724403 0.75 LRRK2 (0.41) GAKLRRK2WDR5
SCHEMBL28265610 0.73 CHI3L1 (0.41) SLC6A7LRRK2
SCHEMBL31627720 0.73 CHI3L1 (0.41) SLC6A7LRRK2
SCHEMBL28267110 0.73 CHI3L1 (0.41) SLC6A7LRRK2
SCHEMBL20606305 0.71 WDR5 (0.38) GAKLRRK2WDR5
SCHEMBL20606306 0.71 WDR5 (0.38) GAKLRRK2WDR5
SCHEMBL20606546 0.71 WDR5 (0.38) GAKLRRK2WDR5

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-3053923-B1 TRIAZOLOPYRAZINE DERIVATIVES AS TYROSIN KINASE INHIBITORS KOREA RES INST CHEMICAL TECH (KR) 2018-04-11 — — EP disclosed
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