SCHEMBL4551605

SCHEMBL4551605

COc1cccc(CNC(=O)c2cc(-c3cc(Nc4cc(C#N)cc(N5CCOCC5)c4)ccc3C)no2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
STAT6 P42226 1/20 0.42
RAF1 P04049 3/20 0.40
BRAF P15056 3/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CETP P11597 1/20 0.39
THRB P10828 1/20 0.39
MMP13 P45452 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4551606 0.91 MAPT (0.47) POLBKDM4EMAPTRAF1BRAF
SCHEMBL4551775 0.90 MAPT (0.48) POLBKDM4EMAPTSTAT6RAF1
SCHEMBL5604081 0.84 RAF1 (0.42) POLBKDM4EMAPTRAF1BRAF
SCHEMBL5603943 0.84 RAF1 (0.45) RAF1BRAF
SCHEMBL4541476 0.82 RAB9A (0.49) POLBKDM4ERAF1BRAFNPC1
SCHEMBL4551777 0.81 BRAF (0.51) POLBKDM4EMAPTRAF1BRAF
SCHEMBL4541474 0.80 RAF1 (0.42) KDM4ERAF1BRAFMAPK14
SCHEMBL4408316 0.78 MAPK14 (0.49) RAF1BRAFMAPK14
SCHEMBL4551596 0.78 NAMPT (0.54) MAPTRAF1BRAFMAPK14
SCHEMBL4551565 0.77 MAPT (0.39) KDM4EMAPTRAF1BRAFMAPK14

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed