SCHEMBL31380346

SCHEMBL31380346

NC1CCCc2ccc(Cc3ccc(-c4ccccc4)cn3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ3 P48549 1/20 0.32
GBA1 P04062 1/20 0.31
UGCG Q16739 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
CXCR4 P61073 2/20 0.31
ACHE P22303 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
HRH2 P25021 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL31380323 0.83 LTA4H (0.37) IRAK4KDM4CHRH3
SCHEMBL31380312 0.81 MBOAT4 (0.33) IRAK4CXCR4
SCHEMBL4245388 0.81 HRH4 (0.37) IRAK4HTR2CMCHR1
SCHEMBL31380381 0.80 IRAK4 (0.35) IRAK4HRH2HRH3
SCHEMBL31380372 0.80 IRAK4 (0.33) IRAK4CXCR4
SCHEMBL31380397 0.79 CYP11B2 (0.36) IRAK4KCNH2HRH3
SCHEMBL31380354 0.79 CYP11B1 (0.38) IRAK4CXCR4
SCHEMBL31380405 0.77 IRAK4 (0.36) IRAK4
SCHEMBL3311297 0.74 IRAK4 (0.46) IRAK4KDM4CHRH2HRH3
SCHEMBL31380309 0.74 CXCR4 (0.32) IRAK4CXCR4

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