SCHEMBL31380397

SCHEMBL31380397

Cn1nccc1-c1ccc(Cc2ccc3c(n2)C(N)CCC3)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
ABL1 P00519 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP4 P27487 1/20 0.32
BRD4 O60885 1/20 0.32
BRD3 Q15059 1/20 0.32
PDPK1 O15530 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL31380346 0.79 IRAK4 (0.35) IRAK4KCNH2HRH3
SCHEMBL31380312 0.76 MBOAT4 (0.33) IRAK4
SCHEMBL31380354 0.73 CYP11B1 (0.38) CYP11B2IRAK4ABL1
SCHEMBL31380372 0.72 IRAK4 (0.33) IRAK4
SCHEMBL31380392 0.72 HDAC1 (0.46) IDH1
SCHEMBL31380307 0.72 GAA (0.35) IRAK4
SCHEMBL31380323 0.70 LTA4H (0.37) IRAK4HRH3
SCHEMBL4073537 0.69 ACHE (0.35) CYP11B2IRAK4
SCHEMBL31380405 0.69 IRAK4 (0.36) CYP11B2IRAK4ABL1ALOX5AP
SCHEMBL4245388 0.68 HRH4 (0.37) IRAK4

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
CN-119707931-A Intermediate and synthesis method of 1- (1-oxo-1, 2-dihydro-phthalazin-6-yl) cycloalkyl-1-carboxamide derivatives as MTA synergistic inhibitors of PRMT5 百济神州(北京)生物科技有限公司 2025-03-28 CN disclosed