SCHEMBL18644112

SCHEMBL18644112

Brc1cc(C2=NC(c3ccccc3)NC(c3cc(Br)cc(-c4ccccc4)c3)N2)cc(-c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ NOS2 P35228 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL18935227 0.84 P2RX7 (0.42) P2RX7NOS2MEN1POLBKMT2A
SCHEMBL19446585 0.83 MEN1 (0.37) P2RX7NOS2MEN1POLBKMT2A
SCHEMBL15749799 0.82 ALDH1A1 (0.39) P2RX7NOS2MEN1POLBKMT2A
SCHEMBL17726028 0.81 P2RX7 (0.39) P2RX7NOS2MEN1KMT2A
SCHEMBL18852008 0.81 P2RX7 (0.39) P2RX7MEN1POLBKMT2A
SCHEMBL15690774 0.80 MEN1 (0.41) P2RX7MEN1POLBKMT2A
SCHEMBL18561430 0.80 P2RX7 (0.41) P2RX7NOS2MEN1KMT2A
SCHEMBL18561432 0.80 P2RX7 (0.38) P2RX7NOS2MEN1KMT2A
SCHEMBL17876668 0.80 ALDH1A1 (0.42) P2RX7MEN1KMT2A
SCHEMBL18767668 0.80 P2RX7 (0.43) P2RX7NOS2MEN1KMT2A

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-2017043645-A1 CYCLIC AZINE COMPOUND, AND PRODUCTION METHOD, PRODUCTION INTERMEDIATE, AND USE THEREOF 東ソー株式会社 2017-03-16 — — WO disclosed
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