SCHEMBL28785976

SCHEMBL28785976

COc1cc(F)cc(-c2cc(N3CCCC(C(N)=O)C3)ncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.49
▸ ICAM1 P05362 2/20 0.49
▸ ITGAL P20701 2/20 0.49
▸ JAK2 O60674 6/20 0.49
▸ JAK3 P52333 6/20 0.49
▸ LRRK2 Q5S007 3/20 0.47
▸ FPR2 P25090 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ CDK9 P50750 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 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
SCHEMBL27801034 0.82 ITGB2 (0.55) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21434097 0.78 ITGB2 (0.56) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL4966191 0.70 GAK (0.49) FPR2SCN9ACDK9HPGDPOLB
SCHEMBL27800969 0.68 DPP4 (0.47) ITGB2ICAM1ITGALDPP4
SCHEMBL2938519 0.67 JAK2 (0.79) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL2446468 0.67 RAB9A (0.50) MAPTPOLB
SCHEMBL21211009 0.67 JAK2 (0.49) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL30027591 0.67 JAK2 (0.49) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL27873347 0.67 CDK9 (0.52) ITGB2ICAM1ITGALFPR2SCN9A
SCHEMBL27856595 0.67 CDK9 (0.52) ITGB2ICAM1ITGALFPR2SCN9A

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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