SCHEMBL18934931

SCHEMBL18934931

Cc1ccc(-c2cc(C3=NC(c4ccccc4)NC(c4ccccc4)N3)cc(-c3ccc4cc(-c5nc6ccccc6c6ccncc56)ccc4c3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 8/20 0.32
▸ CSNK2B P67870 8/20 0.32
▸ DHODH Q02127 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ MAPT P10636 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
SCHEMBL18935290 0.92 KDM4E (0.34) KDM4EALDH1A1ADORA2AMAPT
SCHEMBL18934726 0.85 CSNK2A2 (0.35) CSNK2A2CSNK2BDHODH
SCHEMBL18934933 0.84 TNF (0.34) CSNK2A2CSNK2B
SCHEMBL18935308 0.82 CSNK2A2 (0.33) CSNK2A2CSNK2B
SCHEMBL18935294 0.81 CA12 (0.31) —
SCHEMBL18934732 0.79 TNF (0.38) CSNK2A2CSNK2BDHODH
SCHEMBL18934716 0.79 TNF (0.36) CSNK2A2CSNK2BDHODH
SCHEMBL18935364 0.78 CSNK2A2 (0.31) CSNK2A2CSNK2B
SCHEMBL18935324 0.78 CSNK2A2 (0.31) CSNK2A2CSNK2B
SCHEMBL18934970 0.77 CSNK2A2 (0.42) CSNK2A2CSNK2BDHODHKDM4EALDH1A1

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
WO-2017095100-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2017-06-08 — — WO disclosed
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