SCHEMBL18230422

SCHEMBL18230422

N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cc(N2CCOCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.56
▸ RAF1 P04049 2/20 0.51
▸ BRAF P15056 2/20 0.51
▸ MAPT P10636 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ BTK Q06187 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PIK3R1 P27986 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL18230362 0.92 LRRK2 (0.45) LRRK2RAF1BRAFMAPTSMN1; SMN2
SCHEMBL18230518 0.90 TRPV4 (0.46) LRRK2RAF1BRAFMAPTSMN1; SMN2
SCHEMBL18230475 0.84 MAPT (0.45) LRRK2MAPTSTAT3SMN1; SMN2HDAC1
SCHEMBL18230441 0.82 LMNA (0.43) LRRK2MAPTSTAT3SMN1; SMN2HDAC1
SCHEMBL18230480 0.81 LRRK2 (0.40) LRRK2RAF1BRAFMAPT
SCHEMBL18094567 0.81 LRRK2 (0.56) LRRK2RAF1BRAFMAPTSTAT3
SCHEMBL18230504 0.79 SCD (0.47) MAPTSMN1; SMN2
SCHEMBL18230296 0.78 TRPV1 (0.54) MAPTSMN1; SMN2
SCHEMBL18230430 0.77 LMNA (0.40) RAF1BRAFMAPTSTAT3SMN1; SMN2
SCHEMBL18230311 0.76 STAT3 (0.47) MAPTSTAT3SMN1; SMN2

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
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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