SCHEMBL30417841

SCHEMBL30417841

NC(=O)c1cc(F)cc2[nH]c(-c3ccc(CN4CCCC4C(F)(F)F)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.56
GRM2 Q14416 1/20 0.53
DHODH Q02127 2/20 0.45
PARP2 Q9UGN5 3/20 0.44
CHEK2 O96017 3/20 0.43

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
SCHEMBL2297910 1.00 PARP1 (0.56) PARP1GRM2DHODHPARP2CHEK2
SCHEMBL2299794 0.91 PARP1 (0.56) PARP1GRM2DHODHPARP2CHEK2
SCHEMBL2294120 0.89 PARP1 (0.57) PARP1DHODHPARP2CHEK2
SCHEMBL2294128 0.89 PARP1 (0.57) PARP1DHODHPARP2CHEK2
SCHEMBL30418282 0.89 PARP1 (0.57) PARP1DHODHPARP2CHEK2
SCHEMBL30418224 0.89 PARP1 (0.57) PARP1DHODHPARP2CHEK2
SCHEMBL2295375 0.89 PARP1 (0.57) PARP1DHODHPARP2CHEK2
SCHEMBL2296230 0.88 PARP1 (0.67) PARP1DHODHPARP2
SCHEMBL2299796 0.88 PARP1 (0.58) PARP1DHODHPARP2
SCHEMBL2298595 0.87 PARP1 (0.57) PARP1DHODHPARP2CHEK2

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-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed