SCHEMBL16580931

SCHEMBL16580931

CNc1cccc(Cn2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)c1N(C)S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 8/20 0.57
▸ JAK2 O60674 9/20 0.53
▸ BRD4 O60885 9/20 0.53
▸ JAK3 P52333 3/20 0.53
▸ JAK1 P23458 2/20 0.53
▸ BRD2 P25440 2/20 0.53
▸ BRD3 Q15059 2/20 0.53
▸ BRDT Q58F21 2/20 0.53
▸ CDK4 P11802 2/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ AURKA O14965 1/20 0.47

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
SCHEMBL16570234 0.93 STAT6 (0.57) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16570370 0.92 STAT6 (0.60) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16570926 0.92 STAT6 (0.56) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16571068 0.92 STAT6 (0.56) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16571272 0.90 STAT6 (0.55) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16571219 0.89 STAT6 (0.56) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16570177 0.89 STAT6 (0.58) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16570585 0.88 STAT6 (0.57) STAT6JAK2BRD4JAK3JAK1
Hydrochloric Acid SCHEMBL16570093 0.87 STAT6 (0.56) STAT6JAK2BRD4JAK3JAK1
SCHEMBL16570694 0.86 STAT6 (0.55) STAT6JAK2BRD4JAK3JAK1

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-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — WO disclosed
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