SCHEMBL20909971

SCHEMBL20909971

CSc1ncc(C(=O)NC(C)C)c(Nc2ccn(C)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ AHR P35869 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ NPC1 O15118 2/20 0.35

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
SCHEMBL28094563 0.84 SYK (0.41) SYKTYK2MAPTALDH1A1SMN1; SMN2
SCHEMBL2499014 0.82 SYK (0.62) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16824916 0.81 RXFP1 (0.44) TYK2MAPTALDH1A1LMNAMEN1
SCHEMBL20909768 0.79 MAPK1 (0.45) SYKTYK2MAPTALDH1A1SMN1; SMN2
SCHEMBL20910074 0.76 MAPK1 (0.43) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16120490 0.76 LRRK2 (0.42) SYKTYK2ALDH1A1SMN1; SMN2LMNA
SCHEMBL12197611 0.76 LRRK2 (0.42) SYKTYK2MAPTALDH1A1SMN1; SMN2
SCHEMBL16120663 0.75 HTT (0.44) SYKTYK2MAPTALDH1A1SMN1; SMN2
SCHEMBL20910312 0.73 MAPT (0.39) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17709583 0.69 LRRK2 (0.38) MAPK1LRRK2PIK3CAMAPK8MAPK9

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-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 — — WO disclosed
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