SCHEMBL17847692

SCHEMBL17847692

C=C(I)C(=O)Nc1cc(C)ccc1Nc1nc(Nc2cc(C(N)=O)ccc2CI)ncc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 18/20 0.64
PTK2 Q05397 2/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL17847674 0.90 MAPK3 (0.78) MAPK3PTK2MAPK1
SCHEMBL17847689 0.79 MAPK3 (0.69) MAPK3MAPK1
SCHEMBL15938379 0.78 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL17847675 0.73 MAPK3 (0.58) MAPK3MAPK1
SCHEMBL18256232 0.73 MAPK3 (0.82) MAPK3MAPK1
SCHEMBL15938494 0.72 MAPK3 (0.73) MAPK3PTK2
SCHEMBL18469802 0.71 MAPK3 (0.69) MAPK3PTK2
SCHEMBL17847673 0.71 MAPK3 (0.65) MAPK3MAPK1
SCHEMBL15937930 0.71 MAPK3 (1.00) MAPK3MAPK1
SCHEMBL18470437 0.70 MAPK3 (0.66) MAPK3MAPK1

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
WO-2016100452-A2 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-23 WO disclosed