SCHEMBL17916005

SCHEMBL17916005

CNc1ncc(C)c(Nc2cccc(C)c2C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.49
NUDT1 P36639 1/20 0.47
TP53 P04637 3/20 0.46
SYK P43405 1/20 0.46
AURKA O14965 2/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNK O75909 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
JAK2 O60674 1/20 0.41
TNF P01375 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 1/20 0.41

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
SCHEMBL15946692 0.88 LRRK2 (0.62) LRRK2SYKAURKACCNA2CDK2
SCHEMBL270219 0.84 TP53 (0.43) LRRK2TP53SYKAURKAMAPT
SCHEMBL301971 0.84 TP53 (0.43) LRRK2TP53SYKAURKAMAPT
SCHEMBL12279165 0.83 TP53 (0.49) NUDT1TP53MAPTSMN1; SMN2RAPGEF4
SCHEMBL17916066 0.82 ULK1 (0.54) LRRK2TP53SYKAURKAMAPT
SCHEMBL17916008 0.82 AURKA (0.50) SYKAURKAMAPTCDK2CDK9
SCHEMBL264974 0.80 TP53 (0.47) LRRK2NUDT1TP53MAPTSMN1; SMN2
SCHEMBL15946683 0.78 LRRK2 (0.46) LRRK2SYKAURKACCNA2CDK2
SCHEMBL17916012 0.78 AURKA (0.47) TP53AURKAMAPTSMN1; SMN2NPC1
SCHEMBL17916010 0.77 EGFR (0.49) LRRK2SYKAURKAJAK2

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-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed