SCHEMBL28890696

SCHEMBL28890696

Nc1cccc(-c2nnc3n2C(C(F)(F)F)CC3)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.47
MAP4K1 Q92918 12/20 0.38
RPS6KA2 Q15349 3/20 0.35
PRKD2 Q9BZL6 3/20 0.35
LCP2 Q13094 1/20 0.34

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
SCHEMBL21693769 1.00 MAP3K5 (0.47) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL21693749 0.82 MAP4K1 (0.50) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL28405805 0.82 MAP4K1 (0.50) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL22466066 0.80 MAP3K5 (0.58) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL21693760 0.80 MAP3K5 (0.58) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL21722363 0.80 MAP3K5 (0.58) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL21706101 0.80 MAP4K1 (0.51) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL21693807 0.80 MAP4K1 (0.51) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL21706174 0.78 MAP3K5 (0.42) MAP3K5MAP4K1RPS6KA2PRKD2LCP2
SCHEMBL21693767 0.78 MAP3K5 (0.42) MAP3K5MAP4K1RPS6KA2PRKD2LCP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109983007-B Amide derivative inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2021-11-05 CN disclosed
CN-111107848-A Pharmaceutical composition containing amide derivatives, and preparation method and application thereof 江苏豪森药业集团有限公司 2020-05-05 CN disclosed