SCHEMBL4735552

SCHEMBL4735552

CC(C)Cc1nc2cccnc2n1-c1cccc(C[C@H](NC(=O)c2c(Cl)cncc2Cl)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.50
ITGB1 P05556 13/20 0.48
ITGB7 P26010 4/20 0.48
PDE4B Q07343 1/20 0.45
ITGA5 P08648 4/20 0.44
ITGAV P06756 2/20 0.44
ITGB3 P05106 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 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
SCHEMBL4734787 0.86 ITGB1 (0.55) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736591 0.82 ITGA4 (0.55) ITGA4ITGB1ITGB7PDE4BITGA5
SCHEMBL4735439 0.76 ITGA4 (0.65) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4734610 0.75 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4734486 0.74 ITGB1 (0.62) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736233 0.73 ITGA4 (0.53) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736989 0.71 ITGA4 (0.77) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736103 0.71 ITGA4 (0.62) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4736084 0.71 ITGA4 (0.62) ITGA4ITGB1ITGB7ITGA5ITGAV
SCHEMBL4732547 0.71 ITGA4 (0.62) ITGA4ITGB1ITGB7ITGA5ITGAV

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
WO-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed