SCHEMBL4695628

SCHEMBL4695628

COc1cc(C(N)=O)cc(C(=O)Nc2cc(-c3nc(C)c[nH]3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.49
▸ MAPT P10636 15/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 10/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ THRB P10828 1/20 0.43
▸ SAE1 Q9UBE0 2/20 0.42
▸ UBA2 Q9UBT2 2/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ATF1 P18846 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ P2RY14 Q15391 1/20 0.40

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
SCHEMBL574203 0.81 KIF11 (0.42) MAPTNFKB1
SCHEMBL5189113 0.80 KDR (0.48) PLAUP2RY14
SCHEMBL4412667 0.77 BTK (0.47) —
SCHEMBL17316222 0.76 ABL1 (0.49) HTT
SCHEMBL4482180 0.76 NR2E1 (0.67) —
SCHEMBL4418714 0.75 MAPK14 (0.45) —
SCHEMBL4714607 0.75 MAP3K7 (0.39) MITFMAPTPOLBHTTKDM4E
SCHEMBL4464990 0.73 MAPT (0.66) MITFMAPTPOLBHTTKDM4E
SCHEMBL4412373 0.73 RXFP1 (0.45) —
SCHEMBL4565580 0.72 P2RY14 (0.34) PLAUATF1NFKB1P2RY14

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-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 — — EP disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 — — WO disclosed
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