SCHEMBL14282909

SCHEMBL14282909

CC(C)(C)OC(=O)NC1CCN(c2[nH]c(-c3ccnc(Cl)c3)cc2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
CFTR P13569 1/20 0.40
PARP1 P09874 2/20 0.40
RET P07949 2/20 0.40
SUV39H2 Q9H5I1 2/20 0.39
BTK Q06187 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL14283184 0.95 BTK (0.43) CKS1BSKP1SKP2SUV39H2BTK
SCHEMBL3617867 0.87 RET (0.45) CKS1BSKP1SKP2CFTRPARP1
SCHEMBL14283324 0.83 KIT (0.49) CKS1BSKP1SKP2JAK2JAK1
SCHEMBL3612836 0.82 JAK3 (0.47) CKS1BSKP1SKP2RETSUV39H2
SCHEMBL14283157 0.80 KIT (0.47) CKS1BSKP1SKP2SUV39H2MAP4K4
SCHEMBL14283733 0.80 CKS1B (0.36) CKS1BSKP1SKP2CFTRPARP1
SCHEMBL14282914 0.79 CDK2 (0.39) KDRITGB2ICAM1ITGALJAK2
SCHEMBL2271966 0.78 SUV39H2 (0.52) CKS1BSKP1SKP2CFTRSUV39H2
SCHEMBL23173694 0.73 CKS1B (0.51) CKS1BSKP1SKP2CFTRPARP1
SCHEMBL529587 0.73 CKS1B (0.56) CKS1BSKP1SKP2CFTRRET

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
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed