SCHEMBL6161474

SCHEMBL6161474

CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(NCc2ccncc2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.63
CCR8 P51685 1/20 0.41
FLT1 P17948 2/20 0.39
KDR P35968 2/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT4 P35916 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAF1 P04049 1/20 0.39
ITK Q08881 1/20 0.39
TNF P01375 1/20 0.39
HCK P08631 1/20 0.39
MAPK12 P53778 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL6162480 0.85 MAPK14 (0.59) MAPK14TNFHCKMAPK12
SCHEMBL6160912 0.83 MAPK14 (0.56) MAPK14TNFHCKMAPK12
SCHEMBL6161478 0.81 MAPK14 (0.61) MAPK14RAF1
SCHEMBL6165058 0.79 MAPK14 (0.55) MAPK14CCR8FLT1KDRALDH1A1
SCHEMBL3242741 0.78 MAPK14 (1.00) MAPK14RAF1MAPK12
SCHEMBL6162316 0.76 MAPK14 (0.61) MAPK14ALDH1A1RAF1TNFHCK
SCHEMBL6166487 0.75 MAPK14 (0.60) MAPK14RAF1TNFHCKMAPK12
SCHEMBL6162634 0.74 MAPK14 (0.58) MAPK14RAF1TNFHCKMAPK12
SCHEMBL6162921 0.73 MAPK14 (0.56) MAPK14TNFHCKMAPK12
SCHEMBL6163413 0.72 MAPK14 (0.53) MAPK14CCR8FLT1KDRALDH1A1

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-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed