SCHEMBL31268258

SCHEMBL31268258

CN1CC2(CCC(NC3=NC=CC(N)(c4cc(C5CCCC5)[nH]n4)N3)CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.30
NTRK1 P04629 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL26273423 0.70 PAK1 (0.62) NTRK1
SCHEMBL31268294 0.69 CCNK (0.32)
SCHEMBL4459796 0.69 HCAR2 (0.35)
SCHEMBL31268272 0.68 IGF1R (0.42)
SCHEMBL26577264 0.65 PAK1 (0.67) NTRK1GSK3B
SCHEMBL26049354 0.63 PAK4 (0.63) AURKANTRK1
SCHEMBL31268293 0.61 IGF1R (0.34)
SCHEMBL31268250 0.61 IGF1R (0.34)
SCHEMBL26577213 0.61 PAK1 (0.60) NTRK1
SCHEMBL25372095 0.61 PAK4 (0.60) AURKANTRK1

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
CN-119053590-A Modulators of MYC family protooncogene proteins 纳罗医疗公司 2024-11-29 CN disclosed