SCHEMBL5765684

SCHEMBL5765684

CCc1nnc2ccc(Sc3ccccc3)cn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.49
MET P08581 2/20 0.38
MAPK13 O15264 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
RET P07949 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
PIM3 Q86V86 1/20 0.36
ALK Q9UM73 1/20 0.36
BRD4 O60885 1/20 0.35
NOTUM Q6P988 1/20 0.35
SLC6A4 P31645 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5765239 0.87 MAPK14 (0.53) MAPK14MAPK13NOTUMHPGD
SCHEMBL5765754 0.84 MAPK14 (0.43) MAPK14METMAPK13ALDH1A1KDM4E
SCHEMBL4823102 0.76 MAPK14 (0.59) MAPK14
SCHEMBL5766791 0.75 MAPK14 (0.47) MAPK14KDM4ERETPIM1FGFR1
SCHEMBL14422583 0.75 NOTUM (0.52) KDM4ENOTUMHPGD
SCHEMBL16686975 0.72 MAPK14 (0.47) MAPK14METALDH1A1KDM4EPOLB
SCHEMBL5766110 0.71 MAPK14 (0.47) MAPK14MAPK13ALDH1A1KDM4ENOTUM
SCHEMBL5765801 0.71 MAPK14 (0.39) MAPK14
SCHEMBL5766306 0.71 MAPK14 (0.42) MAPK14METMAPK13RETPIM1
SCHEMBL13687351 0.70 POLB (0.46) MAPK14ALDH1A1KDM4EPOLBNPC1

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
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
EP-1601672-B1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2006-07-26 EP disclosed