SCHEMBL5207074

SCHEMBL5207074

CC[C@H](Nc1nccnc1Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 1/20 0.49
▸ ATP1B1 P05026 1/20 0.49
▸ ATP1A3 P13637 1/20 0.49
▸ ATP1B2 P14415 1/20 0.49
▸ ATP1A2 P50993 1/20 0.49
▸ ATP1B3 P54709 1/20 0.49
▸ FXYD2 P54710 1/20 0.49
▸ ATP1A4 Q13733 1/20 0.49
▸ EGFR P00533 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ASPH Q12797 1/20 0.46
▸ KDM8 Q8N371 1/20 0.46
▸ CRHR1 P34998 3/20 0.44
▸ RPS6KB1 P23443 1/20 0.43
▸ SCN1A P35498 2/20 0.41
▸ SCN1B Q07699 2/20 0.41
▸ SCN5A Q14524 2/20 0.41
▸ SCN8A Q9UQD0 2/20 0.41
▸ LMNA P02545 1/20 0.39

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
SCHEMBL18447775 0.84 EGFR (0.49) EGFRRPS6KB1LMNA
SCHEMBL19205648 0.79 ALDH1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18449481 0.79 ALDH1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL18483206 0.79 ALDH1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11105495 0.78 EGFR (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11105703 0.78 EGFR (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL14670659 0.75 EGFR (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11281906 0.75 EGFR (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL2507116 0.74 SCN1A (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL17985414 0.74 SCN1A (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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
EP-1513821-B1 PROTEIN KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2007-10-31 — — EP disclosed
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