SCHEMBL11105703

SCHEMBL11105703

CCc1c(Cl)ncnc1NC(CC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.52
▸ RPS6KB1 P23443 2/20 0.49
▸ LMNA P02545 1/20 0.44
▸ P2RX3 P56373 2/20 0.43
▸ CRHR1 P34998 3/20 0.42
▸ ATP1A1 P05023 1/20 0.41
▸ ATP1B1 P05026 1/20 0.41
▸ ATP1A3 P13637 1/20 0.41
▸ ATP1B2 P14415 1/20 0.41
▸ ATP1A2 P50993 1/20 0.41
▸ ATP1B3 P54709 1/20 0.41
▸ FXYD2 P54710 1/20 0.41
▸ ATP1A4 Q13733 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ASPH Q12797 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40

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
SCHEMBL11105460 0.86 GALR3 (0.54) EGFRLMNA
SCHEMBL11105495 0.86 EGFR (0.52) EGFRRPS6KB1LMNAP2RX3CRHR1
SCHEMBL11281906 0.80 EGFR (0.52) EGFRRPS6KB1LMNAP2RX3CRHR1
SCHEMBL5207074 0.78 ATP1A1 (0.49) EGFRRPS6KB1LMNACRHR1ATP1A1
SCHEMBL8024728 0.77 EGFR (0.49) EGFRRPS6KB1LMNAP2RX3CRHR1
SCHEMBL11287675 0.77 EGFR (0.49) EGFRRPS6KB1LMNAP2RX3CRHR1
SCHEMBL11104466 0.76 MAOA (0.46) LMNAKDM4E
SCHEMBL11294004 0.75 EGFR (0.39) EGFRRPS6KB1LMNAP2RX3ATP1A1
SCHEMBL11110706 0.75 GALR3 (0.51) EGFRLMNA
SCHEMBL11104154 0.75 EGFR (0.53) EGFRLMNA

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
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 — — EP disclosed
Send feedback