SCHEMBL5201848

SCHEMBL5201848

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
EED O75530 2/20 0.42
ACACB O00763 4/20 0.42
SMPD3 Q9NY59 5/20 0.40
USP30 Q70CQ3 2/20 0.40
DYRK3 O43781 1/20 0.40
PIM3 Q86V86 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
FPR1 P21462 1/20 0.38
FPR2 P25090 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
SCHEMBL3561584 0.82 FPR1 (0.46) CCNCCDK8EEDSMPD3FPR1
Bicarbonate SCHEMBL3556227 0.80 CCNC (0.43) CCNCCDK8EEDACACBSMPD3
SCHEMBL5201859 0.78 EED (0.42) CCNCCDK8EEDACACBSMPD3
SCHEMBL3931285 0.75 USP30 (0.49) EEDUSP30
SCHEMBL3931291 0.75 USP30 (0.49) EEDUSP30
SCHEMBL3555997 0.74 EED (0.39) CCNCCDK8EEDSMPD3USP30
SCHEMBL27258755 0.71 DRD2 (0.59) ACACBSMPD3USP30
SCHEMBL19711007 0.71 NOTUM (0.61) EEDACACBSMPD3
SCHEMBL3929596 0.71 USP30 (0.45) EEDUSP30
SCHEMBL3929593 0.71 USP30 (0.45) EEDUSP30

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