SCHEMBL22237341

SCHEMBL22237341

COc1cncc(-n2cc(-c3cc(C)ccc3C)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 20/20 0.61

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
SCHEMBL19984470 0.79 RIPK2 (0.46) RIPK2
SCHEMBL19947347 0.77 RIPK2 (1.00) RIPK2
SCHEMBL24921189 0.72 CYP11B1 (0.52) RIPK2
SCHEMBL19947421 0.72 KDM4E (0.44) RIPK2
SCHEMBL12482670 0.71 MKNK1 (0.56)
SCHEMBL17130495 0.71 RIPK2 (0.60) RIPK2
SCHEMBL19947300 0.71 RIPK2 (1.00) RIPK2
SCHEMBL31015304 0.70 CYP11B1 (0.43) RIPK2
SCHEMBL17809683 0.70 LRRK2 (0.54) RIPK2
SCHEMBL31014572 0.69 RAB9A (0.46) RIPK2

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-3512837-B1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-22 EP disclosed