SCHEMBL18230362

SCHEMBL18230362

N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cc(N2CCCCC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.45
▸ KDR P35968 3/20 0.43
▸ SRPK2 P78362 1/20 0.43
▸ SRPK1 Q96SB4 1/20 0.43
▸ SRPK3 Q9UPE1 1/20 0.43
▸ ADORA3 P0DMS8 6/20 0.42
▸ BRAF P15056 3/20 0.41
▸ RAF1 P04049 2/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TEK Q02763 4/20 0.39
▸ BTK Q06187 1/20 0.37
▸ LCK P06239 1/20 0.37

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
SCHEMBL18230422 0.92 LRRK2 (0.56) LRRK2BRAFRAF1MAPTSMN1; SMN2
SCHEMBL18230518 0.92 TRPV4 (0.46) LRRK2KDRADORA3BRAFRAF1
SCHEMBL18230475 0.85 MAPT (0.45) LRRK2ADORA3MAPTMEN1KMT2A
SCHEMBL18230441 0.84 LMNA (0.43) LRRK2ADORA3MAPTMEN1KMT2A
SCHEMBL18230504 0.80 SCD (0.47) ADORA3MAPTKDM4EMEN1KMT2A
SCHEMBL18230480 0.80 LRRK2 (0.40) LRRK2ADORA3BRAFRAF1MAPT
SCHEMBL18230296 0.80 TRPV1 (0.54) ADORA3MAPTKDM4EMEN1KMT2A
SCHEMBL18094518 0.79 MPL (0.46) LRRK2KDRSRPK2SRPK1SRPK3
SCHEMBL18230430 0.78 LMNA (0.40) ADORA3BRAFRAF1MAPTMEN1
SCHEMBL18230311 0.77 STAT3 (0.47) ADORA3MAPTALDH1A1LMNAHTT

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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