SCHEMBL30762602

SCHEMBL30762602

Cc1ccc2nc(C3CCOCC3)c(C)c(C#N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PARP14 Q460N5 1/20 0.41
CFTR P13569 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SOS1 Q07889 1/20 0.37
ACHE P22303 1/20 0.36
RAPGEF4 Q8WZA2 4/20 0.36
LRRK2 Q5S007 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30762368 0.88 GSK3A (0.39) CFTRATMLRRK2
SCHEMBL30762645 0.88 GSK3A (0.39) CFTRATMLRRK2
SCHEMBL30762357 0.76 ALDH1A1 (0.52) KDM4EPOLBHTTATMTDP1
SCHEMBL25544660 0.75 CFTR (0.33) KDM4ELMNASMN1; SMN2PARP14CFTR
SCHEMBL30762571 0.74 PARP14 (0.41) PARP14CFTRACHEELANEALDH1A1
SCHEMBL30762503 0.74 CHRM4 (0.36) PARP14IRAK4ACHE
SCHEMBL30762548 0.74 RAPGEF4 (0.31) HTTSOS1RAPGEF4ALDH1A1HPGD
SCHEMBL30762422 0.74 RXFP1 (0.34) KDM4ECFTRRAPGEF4LRRK2ALDH1A1
SCHEMBL30762491 0.72 CFTR (0.43) KDM4ECFTR
SCHEMBL30762580 0.72 PKM (0.32) CFTRIRAK4ALDH1A1HPGD

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
WO-2024026423-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed