SCHEMBL4431468

SCHEMBL4431468

NCCc1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.36
DPP4 P27487 2/20 0.34
IDO1 P14902 1/20 0.34
GRM2 Q14416 1/20 0.33
ABL1 P00519 1/20 0.32
MAPK14 Q16539 2/20 0.32
HTR2A P28223 1/20 0.32
MAOB P27338 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4175707 0.90 DPP4 (0.38) DPP4GRM2ABL1MAPK14CYP1A2
SCHEMBL4433037 0.88 ABL1 (0.34) DPP4GRM2ABL1MAPK14
SCHEMBL27781264 0.88 ABL1 (0.32) DPP4GRM2ABL1MAPK14
SCHEMBL4171143 0.85 ABL1 (0.33) DPP4GRM2ABL1MAPK14
SCHEMBL4437511 0.84 TAAR1 (0.43) TAAR1DPP4CYP1A2CYP3A4CYP2C9
SCHEMBL4172328 0.78 PDE2A (0.43) ABL1
SCHEMBL4181231 0.78 CYP1A2 (0.41) MAPK14CYP1A2CYP3A4CYP2C19HTT
SCHEMBL4436584 0.77 CLK4 (0.34) ABL1MAPK14CYP1A2CYP3A4CYP2C9
SCHEMBL4178794 0.76 ABL1 (0.34) DPP4GRM2ABL1MAPK14CYP1A2
SCHEMBL4177843 0.75 GRM2 (0.37) GRM2ABL1MAPK14

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-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed