SCHEMBL21101408

SCHEMBL21101408

CNc1ccc2ncc(C)nc2c1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
TERT O14746 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MAP4K4 O95819 2/20 0.31
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL20077346 0.76 MAPT (0.38) MAPTADRA2AADRA2BADRA2CADRA1D
SCHEMBL1031945 0.76 MAPT (0.38) MAPTMAP4K4
SCHEMBL19965851 0.75 CCR1 (0.52) MAPT
SCHEMBL5801735 0.75 ADRA2A (0.42) MAPTADRA2AADRA2BADRA2CADRA1D
SCHEMBL23485338 0.75 FGFR3 (0.50)
SCHEMBL29984917 0.75 FGFR3 (0.50)
SCHEMBL9374249 0.71 CCR1 (0.60)
SCHEMBL3583880 0.68 KDM4E (0.49) MAPTCCNB2CDK1CCNB1CDK5
SCHEMBL19932239 0.68 MAPT (0.41) MAPT
SCHEMBL26194060 0.67 MAPT (0.48) MAPTADRA2AADRA2BADRA2CADRA1D

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
EP-3210984-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-06-19 EP disclosed