SCHEMBL4410077

SCHEMBL4410077

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.43
SMO Q99835 7/20 0.43
BRAF P15056 2/20 0.42
TEK Q02763 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL5482540 0.90 RAB9A (0.48) MAPK14BRAFTEKMAPTSMN1; SMN2
SCHEMBL5496963 0.90 MAPK14 (0.44) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL14534669 0.89 MAPK14 (0.44) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL4408412 0.89 MAPK14 (0.44) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL4408195 0.89 PARP10 (0.48) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL4417839 0.87 MAPK14 (0.45) MAPK14BRAFTEKMAPTSMN1; SMN2
SCHEMBL4412446 0.86 KDR (0.41) BRAFTEKALOX15HSD17B10NR1H4
SCHEMBL4414872 0.86 BRAF (0.49) MAPK14BRAFTEKSMN1; SMN2NR1H4
SCHEMBL4417279 0.85 MAPT (0.41) MAPK14SMOBRAFMAPTSMN1; SMN2
SCHEMBL14534691 0.84 PARP10 (0.45) MAPK14SMOPOLBMAPTSMN1; SMN2

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