SCHEMBL5138973

SCHEMBL5138973

N#Cc1c(N)nc2cncc(F)c2c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.51
DYRK1A Q13627 2/20 0.51
LMNA P02545 1/20 0.51
CDK5R1 Q15078 1/20 0.51
ADORA2A P29274 8/20 0.50
HSD17B10 Q99714 3/20 0.50
ADRA2A P08913 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RXFP1 Q9HBX9 2/20 0.49
HPGD P15428 4/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ADORA1 P30542 3/20 0.43

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
SCHEMBL6072771 0.84 ADORA2A (0.56) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL7011406 0.75 ADORA2A (0.70) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL4436700 0.74 ADORA2A (0.60) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL6072337 0.74 CDK5 (0.54) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL27886231 0.73 ADORA2A (0.51) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL6072052 0.73 CDK5 (0.50) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL27709601 0.73 ADORA2A (0.49) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL6072090 0.71 ADORA2A (0.56) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL245321 0.71 ADORA2A (0.60) CDK5DYRK1ALMNACDK5R1ADORA2A
SCHEMBL5139695 0.71 KDM4E (0.52) LMNAADORA2AHSD17B10ADRA2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432279-B2 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2008-10-07 US disclosed