SCHEMBL15062707

SCHEMBL15062707

CN1CC(Nc2nc(Cl)nc3c2SC(=O)C3=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 1/20 0.35
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ SRD5A1 P18405 1/20 0.32
▸ KAT2B Q92831 5/20 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
SCHEMBL516223 0.78 TDP1 (0.36) IL1BPIM1PIM2SRD5A1KAT2B
SCHEMBL4071388 0.78 TDP1 (0.36) IL1BPIM1PIM2SRD5A1KAT2B
SCHEMBL195122 0.78 TDP1 (0.36) IL1BPIM1PIM2SRD5A1KAT2B
SCHEMBL7708607 0.70 IL1B (0.35) IL1BPIM1PIM2SRD5A1KAT2B
SCHEMBL558118 0.70 IL1B (0.35) IL1BPIM1PIM2SRD5A1KAT2B
SCHEMBL516879 0.70 IL1B (0.35) IL1BPIM1PIM2SRD5A1
SCHEMBL590224 0.70 IL1B (0.35) IL1BPIM1PIM2SRD5A1
SCHEMBL31491349 0.70 IL1B (0.35) IL1BPIM1PIM2SRD5A1
SCHEMBL10266156 0.68 IL1B (0.38) IL1BPIM1PIM2
SCHEMBL15491222 0.61 SRD5A1 (0.44) IL1BSRD5A1

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
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP disclosed
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