SCHEMBL9484635

SCHEMBL9484635

O=S(=O)(Nc1ccccc1NCC=Cc1cccnc1)c1cccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.54
▸ PRKACA P17612 5/20 0.52
▸ ROCK2 O75116 4/20 0.52
▸ PRKCG P05129 4/20 0.52
▸ PRKCZ Q05513 4/20 0.52
▸ PRKCD Q05655 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ AKT2 P31751 3/20 0.52
▸ AKT3 Q9Y243 3/20 0.52
▸ PRKACG P22612 3/20 0.52
▸ PRKACB P22694 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ CYP2D6 P10635 3/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ PRKD3 O94806 3/20 0.52
▸ PRKCB P05771 3/20 0.52
▸ PRKCA P17252 3/20 0.52
▸ PRKCH P24723 3/20 0.52
▸ PRKCI P41743 3/20 0.52

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
SCHEMBL9484629 1.00 FLT3 (0.54) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9484806 0.94 PRKACA (0.56) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9484501 0.88 PRKACA (0.55) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9484505 0.88 PRKACA (0.55) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9483339 0.83 FLT3 (0.54) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9483346 0.83 FLT3 (0.54) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9484528 0.79 FLT3 (0.51) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9484521 0.79 FLT3 (0.51) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL9635154 0.76 PRKACA (0.56) FLT3PRKACAROCK2PRKCGPRKCZ
SCHEMBL17737682 0.75 MEN1 (0.56) PRKACAPRKCGPRKCZPRKCDMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 — — US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 — — US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 — — US disclosed
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