SCHEMBL20193751

SCHEMBL20193751

O=C(NOC[C@@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(F)cc1F

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.81
MAP2K2 P36507 5/20 0.81
MAPK1 P28482 2/20 0.81
BRAF P15056 1/20 0.81
MAP2K5 Q13163 1/20 0.81
PIM1 P11309 1/20 0.53
CAMK2B Q13554 1/20 0.53

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
SCHEMBL15424103 1.00 MAP2K1 (0.81) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL24223772 1.00 MAP2K1 (0.81) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL25736933 0.92 MAP2K1 (0.81) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL6292218 0.92 MAPK1 (0.80) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4855302 0.91 MAP2K1 (0.80) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL6291586 0.90 MAPK1 (0.80) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL18457665 0.90 MAP2K1 (0.78) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4857208 0.90 MAP2K1 (0.78) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4857205 0.90 MAP2K1 (0.78) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL12582182 0.90 MAP2K1 (0.78) MAP2K1MAP2K2MAPK1BRAFMAP2K5

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-9982237-B2 Compositions and methods for reprograming non-pluripotent cells into pluripotent stem cells HONG GUAN, LTD. (CN) 2018-05-29 US disclosed