SCHEMBL3683008

SCHEMBL3683008

Cc1c(C(N)=O)ccc(C(N)=O)c1NC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.47
JAK1 P23458 8/20 0.46
JAK3 P52333 8/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KCNH2 Q12809 6/20 0.43
ATM Q13315 3/20 0.43
ATR Q13535 1/20 0.43
CXCR2 P25025 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL17766573 0.80 JAK1 (0.47) PDE4BJAK1JAK3KCNH2ATM
SCHEMBL29229026 0.78 CXCR2 (0.51) PDE4BJAK1JAK3HSP90AA1HSP90AB1
SCHEMBL17766551 0.77 JAK1 (0.53) PDE4BJAK1JAK3KCNH2ATM
SCHEMBL27700002 0.74 JAK2 (0.36) JAK1JAK3HSP90AA1HSP90AB1
SCHEMBL1220618 0.73 KDM4E (0.51) PDE4BJAK1JAK3HSP90AA1HSP90AB1
SCHEMBL12468339 0.72 EML4 (0.46) PDE4BJAK1JAK3CXCR2
SCHEMBL17766577 0.72 MAP2K2 (0.42) PDE4BJAK1JAK3HSP90AA1HSP90AB1
SCHEMBL12191238 0.71 JAK2 (0.52) JAK1JAK3HSP90AA1HSP90AB1KCNH2
SCHEMBL20111769 0.71 HSP90AA1 (0.45) PDE4BJAK1JAK3HSP90AA1HSP90AB1
SCHEMBL6153322 0.71 FLT3 (0.47) JAK1JAK3

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-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed