SCHEMBL18469770

SCHEMBL18469770

C=CCNc1cc(F)ccc1Nc1nc(Nc2ccc(F)cc2OC)ncc1Cl

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 7/20 0.70
ALK Q9UM73 10/20 0.52
INSR P06213 3/20 0.52
IGF1R P08069 1/20 0.52
LRRK2 Q5S007 3/20 0.51

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
SCHEMBL15938745 0.83 MAPK3 (1.00) MAPK3
SCHEMBL15937918 0.79 MAPK3 (1.00) MAPK3
SCHEMBL19846669 0.78 EGFR (0.56) MAPK3ALKINSRIGF1RLRRK2
SCHEMBL1707144 0.76 MAPK3 (0.62) MAPK3ALKLRRK2
SCHEMBL9911252 0.76 MAPK3 (0.62) MAPK3LRRK2
SCHEMBL19846664 0.75 ALK (0.72) ALKINSRIGF1R
SCHEMBL12312032 0.74 MAPK3 (0.60) MAPK3ALKINSRIGF1RLRRK2
SCHEMBL12311880 0.74 MAPK3 (0.64) MAPK3ALKINSRIGF1RLRRK2
SCHEMBL12337109 0.72 MAPK3 (0.60) MAPK3ALKINSRIGF1RLRRK2
SCHEMBL1707303 0.72 MAPK3 (0.56) MAPK3ALKINSRLRRK2

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
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed