SCHEMBL4750049

SCHEMBL4750049

COc1nc(NC(Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)O)nc(OC)n1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.65
ITGAV P06756 1/20 0.65
ITGA4 P13612 17/20 0.60
PTGDR Q13258 1/20 0.45
ITGB7 P26010 2/20 0.42
ABL1 P00519 1/20 0.39

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
SCHEMBL4625223 1.00 ITGB1 (0.65) ITGB1ITGAVITGA4PTGDRITGB7
SCHEMBL4626503 0.83 ITGB1 (0.76) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL3317055 0.83 ITGB1 (0.81) ITGB1ITGAVITGA4ITGB7
SCHEMBL13398404 0.79 ITGB1 (0.64) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL4626491 0.79 ITGB1 (0.73) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL8352229 0.79 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7
SCHEMBL3316398 0.79 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7
SCHEMBL3313373 0.79 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7
SCHEMBL3313356 0.79 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7
SCHEMBL3315439 0.79 ITGB1 (0.71) ITGB1ITGAVITGA4ITGB7

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-2008138615-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-11-20 WO claimed
WO-2008138615-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-11-20 WO disclosed