SCHEMBL30554369

SCHEMBL30554369

O=C(NCc1ccc(F)c(Cl)c1)c1nc2cc3c(-c4ccncc4)n[nH]c3cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 18/20 0.52
MAPK3 P27361 6/20 0.51
MMP13 P45452 2/20 0.43

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
SCHEMBL20916957 1.00 MAPK1 (0.52) MAPK1MAPK3MMP13
SCHEMBL22299696 0.86 MAPK1 (0.44) MAPK1MAPK3
SCHEMBL20931373 0.84 MAPK1 (0.64) MAPK1MAPK3
SCHEMBL30554359 0.84 MAPK1 (0.64) MAPK1MAPK3
SCHEMBL20916789 0.83 MEN1 (0.40) MAPK1MAPK3
SCHEMBL30554297 0.82 MAPK1 (0.50) MAPK1MAPK3MMP13
SCHEMBL20931411 0.82 MAPK1 (0.50) MAPK1MAPK3MMP13
SCHEMBL20916803 0.82 MAPK1 (0.52) MAPK1MAPK3
SCHEMBL20923368 0.81 MAPK1 (0.53) MAPK1MAPK3
SCHEMBL20923365 0.81 MAPK1 (0.53) MAPK1MAPK3

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-112020357-B Salt of indazolyl-containing tricyclic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2023-08-29 CN disclosed