SCHEMBL13627517

SCHEMBL13627517

O=C(O)CN1CCN(c2c[nH]nc2-c2cc(Cl)c(O)cc2O)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 18/20 0.53
▸ HSP90AB1 P08238 15/20 0.53
▸ ROCK2 O75116 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36

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
SCHEMBL13627493 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1ROCK2PRKD3CSF1R
SCHEMBL4489505 0.87 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL13627516 0.86 HSP90AA1 (0.48) HSP90AA1HSP90AB1ROCK2PRKD3CSF1R
SCHEMBL13627511 0.86 HSP90AA1 (0.48) HSP90AA1HSP90AB1ROCK2PRKD3CSF1R
SCHEMBL13627468 0.85 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL13627510 0.85 MAPT (0.52) HSP90AA1HSP90AB1
SCHEMBL13627491 0.84 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL13627503 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL4494977 0.84 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL13627473 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1

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-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
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