SCHEMBL29930983

SCHEMBL29930983

COc1ccc(F)cc1-c1nc(CNC(=O)c2cccnc2OC(F)F)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPK8 P45983 2/20 0.42
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38
GPR6 P46095 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 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
SCHEMBL23611715 1.00 LMNA (0.44) LMNAMAPK8HPGDMAPTKMT2A
SCHEMBL29930564 0.91 ALOX15 (0.43) LMNAMAPK8HPGDMAPTKDM4E
SCHEMBL23611728 0.91 ALOX15 (0.43) LMNAMAPK8HPGDMAPTKDM4E
SCHEMBL23623492 0.89 LMNA (0.45) LMNAMAPK8HPGDMAPTKMT2A
SCHEMBL23623267 0.89 TP53 (0.42) LMNAHPGDMAPTNPSR1TP53
SCHEMBL23611767 0.87 TP53 (0.42) LMNAHPGDMAPTTP53THRB
SCHEMBL23611766 0.86 CTSA (0.38) LMNAHPGDMAPTTP53THRB
SCHEMBL23623494 0.84 NAMPT (0.41) LMNAMAPTTP53THRBKCNH2
SCHEMBL23611738 0.84 ALOX15 (0.44) LMNAMAPTNPSR1TP53THRB
SCHEMBL23611711 0.81 ADORA3 (0.41) LMNAHPGDMAPTTP53THRB

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-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed