SCHEMBL4408593

SCHEMBL4408593

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)NC2CCCCC2)on1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.43
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.40
RAF1 P04049 11/20 0.40
BRAF P15056 11/20 0.40
ATM Q13315 1/20 0.39
ACKR3 P25106 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL14473114 0.88 KDM4E (0.42) MAPK14KDM4ERAF1BRAFATM
SCHEMBL4419811 0.87 TEK (0.46) TEKRAF1BRAF
SCHEMBL4412596 0.86 ACKR3 (0.43) MAPK14KDM4ERAF1BRAFATM
SCHEMBL5593020 0.85 RAB9A (0.49) TEKRAF1BRAFATMNPC1
SCHEMBL4417829 0.84 TEK (0.45) TEKRAF1BRAF
SCHEMBL4565754 0.83 RAF1 (0.51) TEKRAF1BRAF
SCHEMBL4417914 0.82 TEK (0.43) TEKRAF1BRAF
SCHEMBL4414275 0.82 CSF1R (0.46) TEKMAPK14BRAFACKR3
SCHEMBL4416983 0.81 RAB9A (0.41) TEKKDM4ERAF1BRAFRAB9A
SCHEMBL14473107 0.81 CSF1R (0.46) TEKMAPK14RAF1BRAFACKR3

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