SCHEMBL23586174

SCHEMBL23586174

NC(=O)Cc1ccc(CCc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 16/20 0.61
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PDE4D Q08499 1/20 0.48
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.40

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
SCHEMBL15661458 0.90 PDE4B (0.69) PDE4BCYP3A4CYP2C19PDE4DPOLB
SCHEMBL20525285 0.86 PDE4B (0.65) PDE4BCYP3A4CYP2C19PDE4DPOLB
SCHEMBL16669198 0.82 PDE4B (0.69) PDE4BCYP3A4CYP2C19PDE4D
SCHEMBL15661652 0.81 PDE4B (0.70) PDE4BCYP3A4CYP2C19PDE4D
SCHEMBL18833254 0.80 PDE4B (0.60) PDE4BCYP3A4CYP2C19PDE4DTP53
SCHEMBL23586141 0.79 PDE4B (0.55) PDE4BCYP3A4CYP2C19PDE4D
SCHEMBL16669360 0.78 PDE4B (0.54) PDE4BCYP3A4CYP2C19PDE4D
SCHEMBL15947965 0.78 PDE4B (0.57) PDE4BCYP3A4CYP2C19PDE4D
SCHEMBL15947883 0.77 PDE4B (0.53) PDE4BCYP3A4CYP2C19PDE4D
SCHEMBL23586185 0.77 PDE4B (0.53) PDE4BCYP3A4CYP2C19PDE4D

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
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 — — EP disclosed
EP-3842420-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2021-06-30 — — EP disclosed
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