SCHEMBL11107608

SCHEMBL11107608

Cc1ncnc(NC(C)c2ccccc2)c1Br

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.57
▸ NR2F2 P24468 1/20 0.57
▸ EGFR P00533 12/20 0.56
▸ TNF P01375 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NOD1 Q9Y239 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ AURKA O14965 2/20 0.49
▸ RPS6KB1 P23443 2/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ KRAS P01116 1/20 0.49
▸ SOS1 Q07889 1/20 0.49
▸ TP53 P04637 1/20 0.47

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
SCHEMBL11105297 0.84 GALR3 (0.60) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL11100649 0.81 GALR3 (0.57) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL11104368 0.81 GALR3 (0.57) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL11109199 0.79 EGFR (0.48) EGFRAURKARPS6KB1AURKBKRAS
SCHEMBL11112352 0.76 MAOA (0.48) LMNAHSD17B10
SCHEMBL11101615 0.75 GALR3 (0.57) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL31505705 0.74 GALR3 (0.72) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL31505701 0.74 GALR3 (0.72) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL13283262 0.74 GALR3 (0.72) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL11012849 0.73 EGFR (0.50) EGFRRAB9AHSD17B10AURKB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57176967-A — — None — — JP disclosed
JP-59036666-A — — None — — JP disclosed
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
JP-S5936666-A AMINOPYRIMIDINE DERIVATIVE SANKYO CO LTD 1984-02-28 — — JP disclosed
JP-S57176967-A AMINOPYRIMIDINE DERIVATIVE AND ANTIBACTERIAL, INSECTICIDAL AND MITICIDAL AGENT SANKYO CO LTD 1982-10-30 — — JP 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
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