SCHEMBL18818865

SCHEMBL18818865

C1=C(c2ccccc2)NC(c2ccc3ccccc3c2C2NC(c3ccccc3)=NC(c3ccccc3)N2)N=C1c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL18819321 0.84 P2RX7 (0.34) P2RX7
SCHEMBL18818787 0.83 P2RX7 (0.36) P2RX7
SCHEMBL18818854 0.80 P2RX7 (0.31) P2RX7KDM4EMEN1ALDH1A1POLB
SCHEMBL26509642 0.79 — —
SCHEMBL18819184 0.78 P2RX7 (0.31) P2RX7KDM4EMEN1ALDH1A1POLB
SCHEMBL27254247 0.78 P2RX7 (0.35) P2RX7
SCHEMBL27347312 0.77 P2RX7 (0.35) P2RX7
SCHEMBL18819182 0.77 P2RX7 (0.30) P2RX7
SCHEMBL18965409 0.76 — —
SCHEMBL18965437 0.76 — —

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
WO-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 — — WO disclosed
WO-2017074053-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-05-04 — — WO disclosed
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