SCHEMBL21783486

SCHEMBL21783486

N#Cc1cc(N2CCC(C(O)O)CC2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.53
RIPK1 Q13546 3/20 0.47
CHEK1 O14757 2/20 0.45
CHEK2 O96017 1/20 0.43
KCNH2 Q12809 2/20 0.39
KDR P35968 3/20 0.39
KCNJ1 P48048 1/20 0.38
AR P10275 1/20 0.38
LRRK2 Q5S007 3/20 0.36
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL25260940 0.79 GPR119 (0.58) GPR119RIPK1CHEK1CHEK2LRRK2
SCHEMBL30339666 0.79 GPR119 (0.58) GPR119RIPK1CHEK1CHEK2LRRK2
SCHEMBL16635426 0.77 GPR119 (0.53) GPR119RIPK1CHEK1CHEK2KCNH2
SCHEMBL29324694 0.77 SMN1; SMN2 (0.49) GPR119RIPK1CHEK1CHEK2KDR
SCHEMBL3617657 0.76 GPR119 (0.58) GPR119RIPK1CHEK1CHEK2KCNH2
SCHEMBL4555152 0.76 GPR119 (0.70) GPR119RIPK1CHEK1CHEK2KCNH2
SCHEMBL3486651 0.75 GPR119 (0.57) GPR119RIPK1CHEK1CHEK2KCNH2
SCHEMBL27226303 0.74 KDR (0.53) GPR119RIPK1CHEK1KDRHRH4
SCHEMBL20337973 0.74 GPR119 (0.53) GPR119RIPK1CHEK1
SCHEMBL10316047 0.73 GPR119 (0.55) GPR119RIPK1CHEK1CHEK2KCNH2

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-2020043173-A1 HETEROCYCLIC COMPOUND AS RECEPTOR INTERACTING PROTEIN 1(RIP1) KINASE INHIBITOR 宁波文达医药科技有限公司 2020-03-05 WO disclosed