SCHEMBL3533783

SCHEMBL3533783

COc1cc2c(SC)ncnc2cc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.69
IRAK1 P51617 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
EGFR P00533 9/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
LCK P06239 2/20 0.54
KDR P35968 3/20 0.53
RET P07949 2/20 0.53
MAPK1 P28482 1/20 0.53
KIF5B P33176 1/20 0.53
KIT P10721 2/20 0.52
ATM Q13315 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
ELANE P08246 1/20 0.49
CSF1R P07333 2/20 0.48
PDGFRB P09619 1/20 0.48

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
SCHEMBL10296331 0.83 IRAK1 (0.68) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL16281244 0.83 KDM1A (0.60) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL8813070 0.82 KDM1A (0.66) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL295891 0.82 ENPP1 (0.68) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL1011705 0.82 KDM1A (0.58) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL297514 0.82 ENPP1 (0.68) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL14417895 0.82 KDM1A (0.58) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL29631520 0.82 ENPP1 (0.68) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL4419576 0.82 IRAK1 (0.60) KDM1AIRAK1IRAK4EGFRKDM4E
SCHEMBL4725258 0.81 KDM1A (0.57) KDM1AIRAK1IRAK4EGFRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed