SCHEMBL4551606

SCHEMBL4551606

COc1cccc(CNC(=O)c2cc(-c3cc(NC(=O)c4cc(C#N)cc(N5CCOCC5)c4)ccc3C)no2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
RAF1 P04049 11/20 0.46
BRAF P15056 11/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4551605 0.91 POLB (0.46) MAPTKDM4EPOLBRAF1BRAF
SCHEMBL4551777 0.90 BRAF (0.51) MAPTKDM4EPOLBRAF1BRAF
SCHEMBL4408316 0.88 MAPK14 (0.49) RAF1BRAFTP53MAPK14SMN1; SMN2
SCHEMBL4407770 0.85 MAPK14 (0.51) RAF1BRAFMAPK14
SCHEMBL4409940 0.85 RAF1 (0.53) RAF1BRAFMAPK14
SCHEMBL4412693 0.85 RAF1 (0.49) RAF1BRAF
SCHEMBL4418552 0.83 MAPK14 (0.44) MAPTRAF1BRAFTP53MAPK14
SCHEMBL4416214 0.82 MAPK14 (0.43) MAPTRAF1BRAFLMNATP53
SCHEMBL4541481 0.82 RAB9A (0.47) RAF1BRAFMAPK14NPC1RAB9A
SCHEMBL4418487 0.82 MAPK14 (0.48) RAF1BRAFMAPK14

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 3 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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed