SCHEMBL27803985

SCHEMBL27803985

Fc1cc(-n2ccc3cnc(Nc4ccncn4)nc32)cc(F)c1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 3/20 0.56
▸ STAT6 P42226 5/20 0.44
▸ JAK2 O60674 4/20 0.43
▸ BRD4 O60885 4/20 0.43
▸ CDK4 P11802 4/20 0.42
▸ AURKA O14965 2/20 0.42
▸ CCND1 P24385 2/20 0.40
▸ PTK2 Q05397 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38

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
SCHEMBL27824886 0.88 RPS6KA3 (0.64) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL1655623 0.85 RPS6KA3 (0.50) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL27824864 0.84 RPS6KA3 (0.62) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL28786502 0.81 RPS6KA3 (0.56) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL28790439 0.79 STAT6 (0.61) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL27803986 0.77 RPS6KA3 (0.40) RPS6KA3JAK2BRD4
SCHEMBL1654492 0.76 RPS6KA3 (0.50) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL1654507 0.76 RPS6KA3 (0.56) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL27804077 0.75 STAT6 (0.56) RPS6KA3STAT6JAK2BRD4CDK4
SCHEMBL1656030 0.73 RPS6KA3 (0.51) RPS6KA3STAT6JAK2BRD4CDK4

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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