SCHEMBL24401976

SCHEMBL24401976

CCN1C[C@H]2C[C@@H]1CN2CCOC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 7/20 0.36
GBA1 P04062 2/20 0.35
GAA P10253 1/20 0.32

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
SCHEMBL12337631 1.00 MAP3K12 (0.36) MAP3K12GBA1GAA
SCHEMBL23867310 0.92 GBA1 (0.39) MAP3K12GBA1
SCHEMBL25608577 0.92 GBA1 (0.39) MAP3K12GBA1
SCHEMBL26157149 0.88 GAA (0.38) MAP3K12GBA1GAA
SCHEMBL13561489 0.86 MAP3K12 (0.36) MAP3K12GBA1
SCHEMBL18775524 0.86 MAP3K12 (0.36) MAP3K12GBA1
SCHEMBL24402945 0.86 MAP3K12 (0.36) MAP3K12GBA1
SCHEMBL24402949 0.81 MAP3K12 (0.34) MAP3K12GBA1
SCHEMBL22360705 0.81 MAP3K12 (0.37) MAP3K12GBA1
SCHEMBL18776511 0.81 MAP3K12 (0.34) MAP3K12GBA1

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
WO-2022090481-A1 SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-05 WO disclosed