SCHEMBL433728

SCHEMBL433728

CCCC(F)OCc1nc2cc3c(cc2c(=O)[nH]1)C(=O)CC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
ROCK2 O75116 2/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
NPC1 O15118 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 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
SCHEMBL435471 0.85 KDM4E (0.33) KDM4EGAARAB9AMAPTTDP1
SCHEMBL15180116 0.79 TNKS2 (0.49) KDM4EGAAMAPTTDP1LMNA
SCHEMBL10209683 0.78 LMNA (0.39) KDM4EGAARAB9AMAPTTDP1
SCHEMBL435470 0.76 KDM4E (0.37) KDM4EGAARAB9AMAPTTDP1
SCHEMBL10209810 0.75 LMNA (0.37) KDM4EGAARAB9AMAPTTDP1
SCHEMBL431949 0.75 MAPT (0.37) KDM4EGAARAB9AMAPTTDP1
SCHEMBL988163 0.74 MAPT (0.38) KDM4EGAARAB9AMAPTTDP1
SCHEMBL459021 0.73 RAB9A (0.45) KDM4ERAB9ATDP1ALDH1A1ROCK2
SCHEMBL15180105 0.73 LMNA (0.34) KDM4EGAARAB9AMAPTTDP1
SCHEMBL988751 0.70 MAPT (0.38) KDM4EGAARAB9AMAPTTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595966-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES Onyx Pharmaceuticals, Inc. (US) 2013-05-29 EP claimed
WO-2012011939-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES ONYX PHARMACEUTICALS, INC. (US) 2012-01-26 WO claimed
EP-2595966-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES Onyx Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
WO-2012011939-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES ONYX PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed