SCHEMBL902015

SCHEMBL902015

CC(=O)N1CCN(c2cc(-c3cccc(N)n3)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.46
ITGAL P20701 5/20 0.46
ICAM1 P05362 4/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
NCF1 P14598 1/20 0.45
PIK3CA P42336 1/20 0.44
MAP4K4 O95819 1/20 0.44
KARS1 Q15046 2/20 0.44
PIM2 Q9P1W9 1/20 0.43
MTOR P42345 1/20 0.43
SMG1 Q96Q15 1/20 0.43
PIK3CD O00329 1/20 0.43
PIM1 P11309 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42
PRKD3 O94806 1/20 0.42
PRKD1 Q15139 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL901638 0.89 PRKD3 (0.43) KARS1MTORSMG1PRKD3PRKD1
SCHEMBL902018 0.86 NCF1 (0.52) CKS1BSKP1SKP2NCF1PIK3CA
SCHEMBL1704599 0.85 CKS1B (0.51) CKS1BSKP1SKP2PIK3CAMAP4K4
SCHEMBL902067 0.84 MTOR (0.54) KARS1MTORSMG1
SCHEMBL12469600 0.81 KARS1 (0.45) KARS1MTORSMG1
SCHEMBL29239202 0.81 LRRK2 (0.50) ITGB2ITGALICAM1PTGDR2CKS1B
SCHEMBL30928278 0.81 LRRK2 (0.50) ITGB2ITGALICAM1PTGDR2CKS1B
SCHEMBL1704697 0.78 KARS1 (0.71) KARS1
SCHEMBL9932291 0.74 MEN1 (0.48) ITGB2ITGALICAM1PTGDR2CKS1B
SCHEMBL901785 0.74 KARS1 (0.53) KARS1MTORSMG1PRKD1PRKD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed