Sugi Predict

Sugi Predict / Compounds / SCHEMBL3848856

SCHEMBL3848856

SCHEMBL3848856

COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC.COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1CC2CCC(C1)N2C

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 20/20 0.74
▸ KDR P35968 20/20 0.74
▸ EPHB4 P54760 19/20 0.74
▸ ERBB2 P04626 18/20 0.74
▸ FLT1 P17948 9/20 0.74
▸ EGFR P00533 1/20 0.68

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
SCHEMBL906683 0.86 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL907367 0.82 KDR (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL1793479 0.82 KDR (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906525 0.82 KDR (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL907369 0.82 KDR (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906644 0.82 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906675 0.82 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL906674 0.82 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL1791467 0.82 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL1791469 0.82 EPHA2 (1.00) EPHA2KDREPHB4ERBB2FLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 — — EP claimed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 — — WO claimed