SCHEMBL28043901

SCHEMBL28043901

C=CC(=O)Nc1cc(CN)ccc1Nc1nc(Nc2cc(OC)cc(OC)c2)ncc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 15/20 0.77
EGFR P00533 4/20 0.61
BTK Q06187 3/20 0.60
MAPK1 P28482 1/20 0.59

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
SCHEMBL15938434 0.88 MAPK3 (0.84) MAPK3MAPK1
SCHEMBL15938583 0.87 MAPK3 (1.00) MAPK3EGFRBTK
SCHEMBL15948403 0.80 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL15938263 0.80 MAPK3 (0.85) MAPK3EGFRBTK
SCHEMBL17616305 0.79 MAPK3 (0.72) MAPK3EGFRBTKMAPK1
SCHEMBL18857569 0.78 MAPK3 (0.68) MAPK3MAPK1
SCHEMBL15938288 0.78 MAPK3 (0.83) MAPK3MAPK1
SCHEMBL15938671 0.78 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL17533927 0.77 MAPK3 (0.83) MAPK3MAPK1
SCHEMBL18857581 0.77 MAPK3 (0.81) MAPK3EGFRBTK

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-105188371-A Erk inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-23 CN disclosed