SCHEMBL27801034

SCHEMBL27801034

COc1cc(-c2cc(N3CCCC(C(N)=O)C3)ncn2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 5/20 0.55
▸ ICAM1 P05362 5/20 0.55
▸ ITGAL P20701 5/20 0.55
▸ JAK2 O60674 3/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ GAK O14976 1/20 0.47
▸ FPR2 P25090 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.42
▸ DPP4 P27487 4/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ NEK2 P51955 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
SCHEMBL27856595 0.83 CDK9 (0.52) ITGB2ICAM1ITGALGAKFPR2
SCHEMBL27873347 0.83 CDK9 (0.52) ITGB2ICAM1ITGALGAKFPR2
SCHEMBL28789718 0.82 NEK2 (0.44) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL28785976 0.82 ITGB2 (0.49) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL28785974 0.81 RPS6KB1 (0.43) ITGB2ICAM1ITGALRPS6KB1AKT1
SCHEMBL21434097 0.79 ITGB2 (0.56) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21433911 0.77 ITGB2 (0.51) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21433961 0.76 ITGB2 (0.54) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21434031 0.73 ITGB2 (0.55) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21433974 0.73 ITGB2 (0.54) ITGB2ICAM1ITGALJAK2JAK3

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-101889004-A Protein kinase inhibitors INGENIUM PHARMACEUTICALS GMBH 2010-11-17 — — CN disclosed
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