SCHEMBL5201859

SCHEMBL5201859

CC(=O)N[C@@H]1CCN(c2ccc(NC(=NC(=O)O)NC(=O)O)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EED O75530 3/20 0.42
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
SMPD3 Q9NY59 6/20 0.40
USP30 Q70CQ3 2/20 0.38
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
ACACB O00763 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 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
SCHEMBL3561589 0.84 MCHR1 (0.47) EEDCCNCCDK8SMPD3FPR1
Bicarbonate SCHEMBL3556227 0.81 CCNC (0.43) EEDCCNCCDK8SMPD3USP30
SCHEMBL5201848 0.78 CCNC (0.42) EEDCCNCCDK8SMPD3USP30
SCHEMBL3931285 0.72 USP30 (0.49) EEDUSP30
SCHEMBL3931291 0.72 USP30 (0.49) EEDUSP30
SCHEMBL3555997 0.71 EED (0.39) EEDCCNCCDK8SMPD3USP30
SCHEMBL3555998 0.71 CCNC (0.37) EEDCCNCCDK8SMPD3USP30
SCHEMBL4579609 0.69 MCHR1 (0.50) SMPD3FPR1FPR2KCNH2
SCHEMBL27258755 0.69 DRD2 (0.59) SMPD3USP30ACACB
SCHEMBL19711007 0.68 NOTUM (0.61) EEDSMPD3ACACB

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed