SCHEMBL30595296

SCHEMBL30595296

CN(c1nccc(Nc2cc(C3CCCC3)[nH]n2)n1)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.55
PAK4 O96013 4/20 0.55
IGF1R P08069 5/20 0.53
AURKA O14965 1/20 0.51
PAK3 O75914 1/20 0.49
PAK2 Q13177 1/20 0.49
NEK1 Q96PY6 1/20 0.49
NTRK1 P04629 1/20 0.46

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
SCHEMBL26125372 1.00 PAK1 (0.55) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL25240513 0.96 PAK1 (0.60) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL29593024 0.96 PAK1 (0.60) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL29593554 0.88 PAK1 (0.59) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL24065152 0.88 PAK1 (0.59) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL24350208 0.88 IGF1R (0.51) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL24065148 0.86 PAK1 (0.59) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL29593099 0.86 IGF1R (0.49) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL25245960 0.86 IGF1R (0.49) PAK1PAK4IGF1RAURKAPAK3
SCHEMBL30595303 0.86 IGF1R (0.49) PAK1PAK4IGF1RAURKAPAK3

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-116490499-A Modulators of MYC family protooncogene proteins 纳罗医疗公司 2023-07-25 CN disclosed