SCHEMBL31567609

SCHEMBL31567609

N#Cc1ccc2c3ccc(C#N)cc3c3nc4ccccc4nc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MYC P01106 1/20 0.41
▸ MAX P61244 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ ITK Q08881 2/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL26749738 0.84 CA1 (0.46) CA1CA2ALDH1A1KDM4EADORA2A
SCHEMBL18934329 0.78 CA1 (0.53) CA1CA2ALDH1A1KDM4EGAA
SCHEMBL3632654 0.77 CA1 (0.65) CA1CA2ALDH1A1KDM4ECYP1A2
SCHEMBL29655646 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMYCMAXGAA
SCHEMBL29131409 0.77 CA1 (0.65) CA1CA2ALDH1A1KDM4ECYP1A2
SCHEMBL29392214 0.76 NQO2 (0.50) CA1CA2ALDH1A1KDM4EADORA2A
SCHEMBL1996329 0.76 NQO2 (0.50) CA1CA2ALDH1A1KDM4EADORA2A
SCHEMBL24700859 0.76 KDM1A (0.39) ALDH1A1ADORA2AKDM1AABCG2ABCB1
SCHEMBL8831898 0.75 MEN1 (0.54) ALDH1A1KDM4EGLAGAAMEN1
SCHEMBL13074276 0.75 CA2 (0.43) CA1CA2ALDH1A1MEN1KMT2A

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-2025083399-A1 COMPOUNDS WITH THERMALLY ACTIVATED DELAYED FLUORESCENCE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2025-04-24 — — WO disclosed
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