SCHEMBL23328481

SCHEMBL23328481

N#Cc1cc(C#N)cc(-c2ccc(N(c3ccc(-c4cc(C#N)cc(C#N)c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
PRSS12 P56730 1/20 0.35
PTGIR P43119 1/20 0.34
PIM3 Q86V86 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.32
CYP1A2 P05177 2/20 0.32
DHODH Q02127 1/20 0.31
MAP4K4 O95819 2/20 0.31
CYP3A4 P08684 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
LIMK1 P53667 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL25544364 1.00 GPR3 (0.37) GPR3PRSS12PTGIRPIM3PIM1
SCHEMBL25543401 0.95 GPR3 (0.37) GPR3PRSS12PTGIRPIM3PIM1
SCHEMBL25544516 0.95 GPR3 (0.37) GPR3PRSS12PTGIRALDH1A1MAPT
SCHEMBL23328429 0.95 GPR3 (0.37) GPR3PRSS12PTGIRALDH1A1MAPT
SCHEMBL25544519 0.92 PRSS12 (0.36) GPR3PRSS12PTGIRPIM3PIM1
SCHEMBL23328483 0.92 PRSS12 (0.41) GPR3PRSS12PTGIRPIM3PIM1
SCHEMBL23328465 0.92 PRSS12 (0.41) GPR3PRSS12PTGIRPIM3PIM1
SCHEMBL25544160 0.92 PRSS12 (0.41) GPR3PRSS12PTGIRPIM3PIM1
SCHEMBL25548015 0.92 PRSS12 (0.41) GPR3PRSS12PTGIRPIM3PIM1
SCHEMBL21693041 0.90 GPR3 (0.42) GPR3PRSS12PTGIRPIM3PIM1

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-2021085817-A2 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-05-06 WO disclosed