SCHEMBL22397229

SCHEMBL22397229

COc1ncc(-c2ccc3nc(NCC(C)C)cn3n2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 20/20 0.57

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
SCHEMBL22397209 0.94 RIPK1 (0.57) RIPK1
SCHEMBL22397187 0.86 RIPK1 (0.53) RIPK1
SCHEMBL22370955 0.86 RIPK1 (0.66) RIPK1
SCHEMBL22371135 0.84 PIK3CA (0.69) RIPK1
SCHEMBL30468366 0.84 PIK3CA (0.69) RIPK1
SCHEMBL22371171 0.84 RIPK1 (0.67) RIPK1
Hydrochloric Acid SCHEMBL22371096 0.83 PIK3CA (0.68) RIPK1
SCHEMBL22370977 0.83 RIPK1 (0.67) RIPK1
SCHEMBL22397196 0.83 RIPK1 (0.53) RIPK1
SCHEMBL30468361 0.81 RIPK1 (0.68) RIPK1

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-3704118-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed