SCHEMBL4417839

SCHEMBL4417839

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
TEK Q02763 1/20 0.43
RAB9A P51151 2/20 0.42
BRAF P15056 4/20 0.41
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5482540 0.93 RAB9A (0.48) MAPK14TEKRAB9ABRAFKMT2A
SCHEMBL4413435 0.89 MAPK14 (0.47) MAPK14RAB9ABRAFKMT2ASIRT2
SCHEMBL14534686 0.88 MAPK14 (0.47) MAPK14RAB9ABRAFKMT2ASIRT2
SCHEMBL4414872 0.87 BRAF (0.49) MAPK14TEKRAB9ABRAFKMT2A
SCHEMBL4410077 0.87 MAPK14 (0.43) MAPK14TEKBRAFALOX15HSD17B10
SCHEMBL4565964 0.85 MAPK14 (0.42) MAPK14RAB9ABRAFKMT2AMAPT
SCHEMBL4412446 0.84 KDR (0.41) TEKBRAFALOX15HSD17B10
SCHEMBL4565711 0.82 TEK (0.41) TEKRAB9ABRAFKMT2ASIRT2
SCHEMBL14534466 0.82 MAPK14 (0.45) MAPK14RAB9AKMT2AMAPTNPC1
SCHEMBL4729472 0.81 RAB9A (0.44) TEKRAB9ABRAFKMT2ASIRT2

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed