SCHEMBL31380381

SCHEMBL31380381

Cc1nc(Cc2ccc3c(n2)C(N)CCC3)ccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
CNR1 P21554 1/20 0.32
HRH2 P25021 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
F2R P25116 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ANPEP P15144 2/20 0.30
IL1RN P18510 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
HPGD P15428 1/20 0.30

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 0.80 IRAK4 (0.35) IRAK4HRH2HRH3
SCHEMBL4245388 0.80 HRH4 (0.37) IRAK4
SCHEMBL4073537 0.74 ACHE (0.35) IRAK4
SCHEMBL3311297 0.73 IRAK4 (0.46) IRAK4HRH2HRH3MEN1RAB9A
SCHEMBL31380323 0.73 LTA4H (0.37) IRAK4HRH3
SCHEMBL31380415 0.72 BACE1 (0.40) IRAK4
SCHEMBL31380311 0.72 IRAK4 (0.31) IRAK4
SCHEMBL3858516 0.72 CTSK (0.34) IRAK4
SCHEMBL31380312 0.71 MBOAT4 (0.33) IRAK4RAB9A
SCHEMBL31380305 0.70 HDAC1 (0.48) CNR1

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