SCHEMBL28786502

SCHEMBL28786502

Fc1cc(-n2ccc3cnc(Nc4nccs4)nc32)cc(F)c1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 3/20 0.56
▸ JAK2 O60674 7/20 0.45
▸ BRD4 O60885 7/20 0.45
▸ STAT6 P42226 5/20 0.44
▸ AURKA O14965 3/20 0.42
▸ CDK4 P11802 3/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ BRD2 P25440 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ BRDT Q58F21 1/20 0.42
▸ JUN P05412 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ PTK2 Q05397 1/20 0.40

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
SCHEMBL1657571 0.85 RPS6KA3 (0.50) RPS6KA3JAK2BRD4STAT6AURKA
SCHEMBL27824886 0.84 RPS6KA3 (0.64) RPS6KA3JAK2BRD4STAT6AURKA
SCHEMBL27824864 0.82 RPS6KA3 (0.62) RPS6KA3JAK2BRD4STAT6AURKA
SCHEMBL27803985 0.81 RPS6KA3 (0.56) RPS6KA3JAK2BRD4STAT6AURKA
SCHEMBL28790439 0.79 STAT6 (0.61) RPS6KA3JAK2BRD4STAT6AURKA
SCHEMBL28786504 0.77 RPS6KA3 (0.40) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL27804077 0.75 STAT6 (0.56) RPS6KA3JAK2BRD4STAT6AURKA
SCHEMBL28790308 0.73 STAT6 (0.53) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL1654507 0.72 RPS6KA3 (0.56) RPS6KA3JAK2BRD4STAT6AURKA
SCHEMBL25016925 0.72 RPS6KA3 (1.00) RPS6KA3JAK2BRD4STAT6AURKA

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
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 — — CN claimed
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