SCHEMBL20156855

SCHEMBL20156855

NCCNc1ccc(F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.44
TDO2 P48775 3/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CCNT1 O60563 1/20 0.39
SYK P43405 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
IDH1 O75874 1/20 0.37
CHEK1 O14757 1/20 0.37
TRPA1 O75762 1/20 0.37
HCAR3 P49019 1/20 0.37
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
PRKD3 O94806 1/20 0.36
EGFR P00533 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
LCK P06239 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36

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
SCHEMBL20157086 0.81 HCAR3 (0.56) TDO2MKNK1MKNK2GPR55IDH1
SCHEMBL8188968 0.80 AURKA (0.51) CCNT1GPR55LCK
SCHEMBL2028729 0.78 HRH3 (0.42) FERMT2CHEK1HCAR3PRKD3EGFR
SCHEMBL18768716 0.77 DEGS1 (0.41) CHEK1HCAR3
SCHEMBL1060108 0.77 NPC1 (0.49)
Hydrochloric Acid SCHEMBL5694428 0.77 HRH3 (0.41) FERMT2CHEK1HCAR3PRKD3EGFR
SCHEMBL13103613 0.77 RAB9A (0.47) SYKHCAR3PRKD3EGFRPRKCG
SCHEMBL5206693 0.77 MAOB (0.51) FERMT2IDH1
SCHEMBL5093662 0.77 RAB9A (0.54)
SCHEMBL24661308 0.76 TDO2 (0.41) TDO2MKNK1MKNK2GPR55IDH1

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed