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SCHEMBL18230480

SCHEMBL18230480

CN1CCN(c2ccnc(-c3nc(NC(=O)c4ccc(C(F)(F)F)cc4)sc3C#N)c2)CC1.COc1ccnc(-c2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2C#N)c1.N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cc(N2CCCCC2)ccn1.N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cc(N2CCOCC2)ccn1.N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cc(O)ccn1.N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cc(OS(=O)(=O)C(F)(F)F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.40
▸ TRPV4 Q9HBA0 4/20 0.39
▸ RAF1 P04049 3/20 0.38
▸ BRAF P15056 3/20 0.38
▸ ADORA3 P0DMS8 2/20 0.37
▸ F10 P00742 5/20 0.36
▸ PTK2 Q05397 1/20 0.34
▸ CDK19 Q9BWU1 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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 0.81 LRRK2 (0.56) LRRK2RAF1BRAFMAPT
SCHEMBL18230518 0.81 TRPV4 (0.46) LRRK2TRPV4RAF1BRAFADORA3
SCHEMBL18230362 0.80 LRRK2 (0.45) LRRK2RAF1BRAFADORA3KDM4E
SCHEMBL18230430 0.79 LMNA (0.40) RAF1BRAFADORA3ADORA2AADORA1
SCHEMBL18230504 0.77 SCD (0.47) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL18230441 0.74 LMNA (0.43) LRRK2ADORA3ADORA2AADORA1MEN1
SCHEMBL18230475 0.68 MAPT (0.45) LRRK2ADORA3ADORA2AADORA1MEN1
SCHEMBL18094454 0.66 SMN1; SMN2 (0.49) LRRK2RAF1BRAFMAPT
SCHEMBL18094567 0.66 LRRK2 (0.56) LRRK2RAF1BRAFALDH1A1MAPT
SCHEMBL18230282 0.64 TRPV4 (0.56) TRPV4RAF1BRAFADORA3ADORA2A

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