SCHEMBL19944308

SCHEMBL19944308

C/C=C\Oc1nc(-c2cc(Cl)c3cnn(C)c3c2)ccc1[C@@]1(C)CCCNC1=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.63
CDK8 P49336 5/20 0.34
CCNC P24863 3/20 0.34
CDK19 Q9BWU1 3/20 0.34

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
SCHEMBL16617315 0.91 PTGER3 (0.68) PTGER3CDK8CCNCCDK19
SCHEMBL16617313 0.91 PTGER3 (0.68) PTGER3CDK8CCNCCDK19
SCHEMBL16617680 0.85 PTGER3 (0.69) PTGER3CDK8CCNCCDK19
SCHEMBL16617681 0.85 PTGER3 (0.69) PTGER3CDK8CCNCCDK19
SCHEMBL16617140 0.80 PTGER3 (0.68) PTGER3CDK8CCNCCDK19
SCHEMBL16617137 0.80 PTGER3 (0.68) PTGER3CDK8CCNCCDK19
SCHEMBL16617915 0.78 PTGER3 (1.00) PTGER3
SCHEMBL16617916 0.78 PTGER3 (1.00) PTGER3
SCHEMBL16617784 0.75 PTGER3 (0.69) PTGER3CDK8CCNCCDK19
SCHEMBL16617783 0.75 PTGER3 (0.69) PTGER3CDK8CCNCCDK19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055300-B1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER (US) 2018-03-07 EP disclosed