SCHEMBL23176141

SCHEMBL23176141

C/C=C/c1cn(-c2ccnc(OC)n2)nc1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
CREBBP Q92793 1/20 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
SCHEMBL15935022 0.78 BRD4 (0.34) BRD4BRD2BRD3CREBBP
SCHEMBL23176145 0.72 PDPK1 (0.36) BRD4BRD2BRD3CREBBP
SCHEMBL15935018 0.70 MAPT (0.54) BRD4BRD2BRD3CREBBP
SCHEMBL15923977 0.69 RXRA (0.32)
SCHEMBL23175861 0.66 MAPK13 (0.41)
SCHEMBL15923550 0.66 MAPT (0.34)
SCHEMBL19132920 0.65 KDM4E (0.44)
SCHEMBL24920862 0.65 MAPT (0.34)
SCHEMBL24142971 0.64 PDE10A (0.41) BRD4BRD2BRD3CREBBP
SCHEMBL12126182 0.64 PTGS2 (0.35)

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-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed