SCHEMBL8549645

SCHEMBL8549645

O=c1[nH]nc(-c2ccccn2)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.53
PIM1 P11309 5/20 0.51
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 1/20 0.49
PIM2 Q9P1W9 2/20 0.47
BTK Q06187 1/20 0.43
NOTUM Q6P988 1/20 0.43
NTRK1 P04629 1/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
NPY5R Q15761 1/20 0.41
PIM3 Q86V86 1/20 0.41
ROCK1 Q13464 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL28768625 0.83 LRRK2 (0.65) LRRK2PIM1PRMT5WDR77PIM2
SCHEMBL16535289 0.77 LRRK2 (0.61) LRRK2PIM1PRMT5WDR77PIM2
SCHEMBL1251558 0.76 LRRK2 (0.55) LRRK2PIM1PRMT5WDR77PIM2
SCHEMBL31220958 0.73 NPSR1 (0.47) NOTUMATMNPSR1ROCK1HPGD
SCHEMBL8552255 0.72 ADORA2A (0.44) LRRK2PIM1NOTUMATMMAPK1
SCHEMBL14633312 0.71 LRRK2 (0.47) LRRK2PIM1PRMT5WDR77PIM2
SCHEMBL5139537 0.70 LRRK2 (0.49) LRRK2PIM1PRMT5WDR77PIM2
SCHEMBL30316298 0.69 LRRK2 (1.00) LRRK2PIM1PIM2NTRK1MAPK1
SCHEMBL1328336 0.69 LRRK2 (1.00) LRRK2PIM1PIM2NTRK1MAPK1
SCHEMBL9598073 0.69 BTK (0.50) LRRK2PIM1PRMT5WDR77BTK

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-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed