SCHEMBL11662467

SCHEMBL11662467

N#Cc1nc(N=Nc2nc(C#N)c(C#N)[nH]2)[nH]c1C#N

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RPS6KA3 P51812 1/20 0.44

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
SCHEMBL11662504 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1RPS6KA3
SCHEMBL8997118 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1RPS6KA3
SCHEMBL12186583 0.85 ALDH1A1 (0.42) ALDH1A1MAPK1RPS6KA3
SCHEMBL13067084 0.84 ALDH1A1 (0.36) ALDH1A1MAPK1RPS6KA3
SCHEMBL15534543 0.84 RPS6KA3 (0.69) ALDH1A1MAPK1RPS6KA3
SCHEMBL11662376 0.82 RPS6KA3 (0.38) ALDH1A1MAPK1RPS6KA3
SCHEMBL25489939 0.81 RPS6KA3 (0.50) ALDH1A1MAPK1RPS6KA3
SCHEMBL11659967 0.79 RPS6KA3 (0.38) ALDH1A1MAPK1RPS6KA3
SCHEMBL18320214 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1
SCHEMBL404890 0.71 ALDH1A1 (0.46) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4083843-A YELLOW DYE FOR NYLON, POLYACRYLONITRILE, WOOL AND SILK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-11 US claimed
US-4083843-A YELLOW DYE FOR NYLON, POLYACRYLONITRILE, WOOL AND SILK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-11 US disclosed
US-4083843-A YELLOW DYE FOR NYLON, POLYACRYLONITRILE, WOOL AND SILK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-11 US disclosed
US-4083843-A YELLOW DYE FOR NYLON, POLYACRYLONITRILE, WOOL AND SILK E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-11 US disclosed