SCHEMBL30898278

SCHEMBL30898278

Clc1nc(Cl)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 9/20 0.68
▸ CNR2 P34972 1/20 0.56
▸ CDK1 P06493 1/20 0.53
▸ PNP P00491 1/20 0.53
▸ ADORA2A P29274 1/20 0.52
▸ PI4KA P42356 1/20 0.52
▸ PI4K2B Q8TCG2 1/20 0.52
▸ PI4K2A Q9BTU6 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ PHLPP2 Q6ZVD8 1/20 0.51

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
SCHEMBL183057 1.00 YTHDC1 (0.68) YTHDC1CNR2CDK1PNPADORA2A
SCHEMBL5465713 0.88 P2RX7 (0.56) YTHDC1ADORA2AHDAC1HDAC2HDAC8
SCHEMBL30898205 0.87 YTHDC1 (0.72) YTHDC1CNR2ADORA2AP2RX7
SCHEMBL5451873 0.87 YTHDC1 (0.72) YTHDC1CNR2ADORA2AP2RX7
SCHEMBL5161967 0.87 ADORA2A (0.53) YTHDC1CNR2CDK1PNPADORA2A
SCHEMBL12537206 0.86 YTHDC1 (0.53) YTHDC1CNR2HDAC1HDAC2HDAC8
SCHEMBL22345236 0.85 YTHDC1 (0.56) YTHDC1HDAC1HDAC2HDAC8P2RX7
SCHEMBL2060472 0.85 PDE4A (0.67) YTHDC1CNR2CDK1PNPADORA2A
SCHEMBL5461215 0.85 HDAC6 (0.60) YTHDC1CNR2HDAC1HDAC2HDAC8
SCHEMBL6272417 0.85 ALDH1A1 (0.66) PNPADORA2API4KAPI4K2BPI4K2A

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-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 — — WO disclosed
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