SCHEMBL20525848

SCHEMBL20525848

COC(=O)Nc1nc2ccc(C(=O)c3ccccc3C(=O)Nc3cccc(C(C)C)c3)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.70
▸ BRAF P15056 5/20 0.70
▸ KDR P35968 4/20 0.60
▸ LMNA P02545 4/20 0.60
▸ CYP1A2 P05177 4/20 0.60
▸ HIF1A Q16665 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ ABL1 P00519 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ MAPK1 P28482 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ TUBB4A P04350 3/20 0.54
▸ TUBB P07437 3/20 0.54
▸ TUBA3C P0DPH7 3/20 0.54
▸ TUBA1B P68363 3/20 0.54

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
SCHEMBL1791715 0.91 RAF1 (0.59) RAF1BRAFKDRLMNACYP1A2
SCHEMBL20525713 0.88 RAF1 (0.73) RAF1BRAFKDRLMNACYP1A2
SCHEMBL20525779 0.87 RAF1 (0.72) RAF1BRAFKDRLMNACYP1A2
SCHEMBL3853135 0.87 RAF1 (0.72) RAF1BRAFKDRLMNACYP1A2
SCHEMBL20525589 0.86 RAF1 (0.70) RAF1BRAFKDRLMNACYP1A2
SCHEMBL20525682 0.85 RAF1 (0.69) RAF1BRAFKDRLMNACYP1A2
SCHEMBL3857512 0.83 RAF1 (0.66) RAF1BRAFKDRLMNACYP1A2
SCHEMBL1467140 0.81 RAF1 (0.48) RAF1BRAFKDRLMNACYP1A2
SCHEMBL1791971 0.80 RAF1 (0.64) RAF1BRAFKDRLMNACYP1A2
SCHEMBL2357955 0.79 RAF1 (0.63) RAF1BRAFKDRLMNACYP1A2

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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP claimed
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