SCHEMBL17631122

SCHEMBL17631122

O=C(O)N1CCC(c2ccc(Nc3ncnc(Cl)n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.46
SCN9A Q15858 6/20 0.46
IDO1 P14902 1/20 0.42
AXL P30530 1/20 0.42
BTK Q06187 1/20 0.42
KCNH2 Q12809 1/20 0.41
STAT6 P42226 1/20 0.41
FLT3 P36888 1/20 0.40
RORC P51449 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TTK P33981 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL17630908 0.84 IGF1R (0.54) BTKPTK2
SCHEMBL17630621 0.83 WEE1 (0.45) SCN9ANPC1RAB9ATBK1
SCHEMBL12478010 0.78 PTK2 (0.53) SYKPTK2FLT4KDR
SCHEMBL17630725 0.78 TBK1 (0.53) AXLKCNH2FLT3TBK1KDR
SCHEMBL17645235 0.78 TBK1 (0.43) SYKSCN9AAXLKCNH2FLT3
SCHEMBL17630617 0.76 IGF1R (0.48) SCN9ABTKKCNH2FLT4KDR
SCHEMBL27226677 0.76 PAK1 (0.41)
SCHEMBL17630377 0.74 TBK1 (0.59) TBK1
SCHEMBL24942659 0.74 AURKA (0.59) NPC1RAB9ASMN1; SMN2KDR
SCHEMBL17631584 0.73 EGFR (0.50) SYKSCN9AAXLBTKFLT3

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-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 EP disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed