SCHEMBL1445849

SCHEMBL1445849

Fc1ccnc(F)c1-c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.41
MAPK9 P45984 3/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK10 P53779 2/20 0.41
HSP90AA1 P07900 1/20 0.37
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
FRK P42685 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CYP2D6 P10635 1/20 0.35
GRM1 Q13255 1/20 0.34
HDAC4 P56524 1/20 0.34
CCNT1 O60563 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
GRM5 P41594 2/20 0.33

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
SCHEMBL13910999 0.77 HSP90AA1 (0.50) MAPK14MAPK9MAPK11MAPK10HSP90AA1
SCHEMBL10402322 0.74 HSP90AA1 (0.48) MAPK14MAPK9MAPK11MAPK10HSP90AA1
SCHEMBL2814353 0.74 HSP90AA1 (0.52) MAPK14MAPK9MAPK11MAPK10HSP90AA1
SCHEMBL30595872 0.74 HSP90AA1 (0.52) MAPK14MAPK9MAPK11MAPK10HSP90AA1
SCHEMBL28328152 0.73 GRM5 (0.39) MAPK14MAPK9MAPK11MAPK10HSP90AA1
SCHEMBL1444766 0.72 CASP6 (0.47) MAPK9MAP4K4EGFRFRKCSNK1A1
SCHEMBL1445096 0.70 SCN9A (0.47) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL6200759 0.69 MAPK9 (0.43) MAPK14MAPK9MAPK11MAPK10HSP90AA1
SCHEMBL1444789 0.69 EGFR (0.42) MAPK14MAPK9MAPK11MAPK10HSP90AA1
SCHEMBL30141958 0.69 NPC1 (0.46) MAPK9MAP4K4EGFRFRKCSNK1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480235-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS University Of Louisville Research Foundation, Inc. (US) 2012-08-01 EP claimed
WO-2011038234-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-03-31 WO claimed