SCHEMBL20522707

SCHEMBL20522707

O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(Nc2ccccc2)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.60

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
Hydrochloric Acid SCHEMBL20523104 0.99 MAP3K5 (0.59) MAP3K5
SCHEMBL20523071 0.94 MAP3K5 (0.59) MAP3K5
SCHEMBL20522708 0.90 MAP3K5 (0.57) MAP3K5
Hydrochloric Acid SCHEMBL20523105 0.90 MAP3K5 (0.56) MAP3K5
SCHEMBL20523072 0.86 MAP3K5 (0.56) MAP3K5
Hydrochloric Acid SCHEMBL21681086 0.85 MAP3K5 (0.56) MAP3K5
SCHEMBL20523033 0.83 MAP3K5 (0.76) MAP3K5
SCHEMBL20522944 0.82 MAP3K5 (0.71) MAP3K5
SCHEMBL20523363 0.80 MAP3K5 (0.91) MAP3K5
SCHEMBL934010 0.80 MAP3K5 (0.64) MAP3K5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601250-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS Pharmakea, Inc. (US) 2020-02-05 EP claimed
WO-2018183122-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2018-10-04 WO claimed
EP-3601250-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS Pharmakea, Inc. (US) 2020-02-05 EP disclosed
WO-2018183122-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2018-10-04 WO disclosed