SCHEMBL12833154

SCHEMBL12833154

C=C(OC)c1cc(-c2cnc(NC(=O)NCC)cc2-c2nc(C(F)(F)F)c(C)s2)cnc1OC

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 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
SCHEMBL3433592 0.92 ABL1 (0.39) ABL1
SCHEMBL3435008 0.91 ABL1 (0.38) ABL1
SCHEMBL3432375 0.81 CETP (0.36)
SCHEMBL3432980 0.79 PIK3CD (0.38)
SCHEMBL2132036 0.78
SCHEMBL1505517 0.77
SCHEMBL2134989 0.77
SCHEMBL1505568 0.76 ABL1 (0.42) ABL1
SCHEMBL3488070 0.76
SCHEMBL2133971 0.75 FGFR3 (0.40)

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-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed