SCHEMBL29949264

SCHEMBL29949264

Nc1ncc(F)cc1-n1cnc(C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 13/20 0.38
GRM5 P41594 7/20 0.33
GRM1 Q13255 6/20 0.33
MAP3K6 O95382 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
SCHEMBL29949153 0.83 NOS3 (0.39) MAP3K5GRM5GRM1
SCHEMBL28848832 0.77 MAP3K5 (0.40) MAP3K5GRM5GRM1MAP3K6
SCHEMBL29949198 0.76 DHFR (0.40) MAP3K5GRM5
SCHEMBL29949085 0.74 MAP3K5 (0.41) MAP3K5GRM5GRM1
SCHEMBL28391289 0.72 MAP3K5 (0.53) MAP3K5MAP3K6
SCHEMBL29978259 0.72 MAP3K5 (0.53) MAP3K5MAP3K6
SCHEMBL29948962 0.71 MAP3K5 (0.42) MAP3K5
SCHEMBL15811865 0.71 MAP3K5 (0.42) MAP3K5
SCHEMBL28848720 0.71 MAP3K5 (0.42) MAP3K5
SCHEMBL18027905 0.70 MAP3K5 (0.55) MAP3K5MAP3K6

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
CN-110036005-B Amide derivatives and their use in medicine 广东东阳光药业有限公司 2022-09-27 CN disclosed