SCHEMBL22321061

SCHEMBL22321061

c1ccc(Cn2cc(-c3cc4ccccc4c4ccccc34)nn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.59
▸ CCNK O75909 1/20 0.52
▸ CDK12 Q9NYV4 1/20 0.52
▸ GSK3B P49841 4/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ ROCK2 O75116 4/20 0.49
▸ CDK2 P24941 4/20 0.49
▸ PIM1 P11309 3/20 0.49
▸ PRKACA P17612 3/20 0.49
▸ AURKA O14965 2/20 0.49
▸ CHUK O15111 2/20 0.49
▸ MAPK13 O15264 2/20 0.49
▸ DAPK3 O43293 2/20 0.49
▸ JAK2 O60674 2/20 0.49
▸ CHEK2 O96017 2/20 0.49
▸ PRKCG P05129 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ FGFR1 P11362 2/20 0.49
▸ MARK3 P27448 2/20 0.49
▸ MAPK1 P28482 2/20 0.49

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
SCHEMBL27818294 0.84 CYP19A1 (0.60) CYP19A1CCNKCDK12GSK3BFLT3
SCHEMBL16264766 0.82 CCNK (0.46) CYP19A1CCNKCDK12CDK2NPC1
SCHEMBL16263155 0.80 CCNE1 (0.37) CYP19A1CCNKCDK12CDK2MAPK1
SCHEMBL22510634 0.79 CYP19A1 (0.82) CYP19A1CCNKCDK12GSK3BFLT3
SCHEMBL18625817 0.79 NAMPT (0.41) CYP19A1CCNKCDK12CDK2NPC1
SCHEMBL20435497 0.77 SRC (0.57) CYP19A1GSK3BFLT3NPC1RAB9A
SCHEMBL29275462 0.76 CYP19A1 (0.66) CYP19A1CCNKCDK12GSK3BFLT3
SCHEMBL27818284 0.75 NR1I3 (0.50) CYP19A1CCNKCDK12GSK3BROCK2
SCHEMBL935182 0.75 CYP19A1 (1.00) CYP19A1GSK3BFLT3ROCK2CDK2
SCHEMBL15836586 0.75 CYP19A1 (0.93) CYP19A1GSK3BFLT3ROCK2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11027260-B2 Low pressure nanowire membrane for catalytic reactions and methods of making and using the same UCHICAGO ARGONNE, LLC (US) 2021-06-08 — — US disclosed
US-20200254426-A1 LOW PRESSURE NANOWIRE MEMBRANE FOR CATALYTIC REACTIONS AND METHODS OF MAKING AND USING THE SAME UCHICAGO ARGONNE, LLC 2020-08-13 — — US disclosed
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