SCHEMBL18880484

SCHEMBL18880484

CC(=O)N1CCc2c(I)n[nH]c2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
EP300 Q09472 9/20 0.46
CREBBP Q92793 9/20 0.46
BRD4 O60885 1/20 0.46
RBP4 P02753 9/20 0.45
AURKA O14965 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL31496063 0.88 MAPK1 (0.56) MAPK1EP300CREBBPBRD4
SCHEMBL17317850 0.86 P2RX7 (0.39) MAPK1EP300CREBBPBRD4RBP4
SCHEMBL16127191 0.84 CREBBP (0.52) MAPK1EP300CREBBPBRD4RBP4
SCHEMBL17232648 0.83 EP300 (0.49) MAPK1EP300CREBBPBRD4RBP4
SCHEMBL24157629 0.81 MAPK1 (0.53) MAPK1EP300CREBBPBRD4RBP4
SCHEMBL17317597 0.80 ADORA1 (0.44) MAPK1RBP4
SCHEMBL17229622 0.79 MAPK1 (0.48) MAPK1EP300CREBBPBRD4RBP4
SCHEMBL19831854 0.79 MAPK1 (0.45) MAPK1EP300CREBBPBRD4RBP4
SCHEMBL17234808 0.79 EP300 (0.49) MAPK1EP300CREBBPBRD4RBP4
SCHEMBL14970433 0.78 RBP4 (0.53) MAPK1EP300CREBBPBRD4RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495365-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3239151-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2017-11-01 EP disclosed
EP-2970267-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-24 EP disclosed