SCHEMBL29907784

SCHEMBL29907784

COC(=O)c1nc(Cl)c(-c2ccc(F)c(F)c2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RCE1 Q9Y256 1/20 0.43
IDO1 P14902 1/20 0.43
CNR1 P21554 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ABL1 P00519 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CTSA P10619 1/20 0.38
ERN1 O75460 1/20 0.37

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
SCHEMBL22551809 1.00 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL21730350 0.86 LMNA (0.51) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL29907684 0.86 LMNA (0.51) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL21722893 0.85 IDO1 (0.56) IDO1CNR1MAPT
SCHEMBL22551772 0.84 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL21730335 0.83 ATR (0.41) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL5425548 0.81 SMN1; SMN2 (0.52) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL30170628 0.80 NPC1 (0.44) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL20560347 0.80 NPC1 (0.44) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL16037442 0.76 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1

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
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed