SCHEMBL9823743

SCHEMBL9823743

CC#CNc1nc2ccccc2c(=O)n1C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
MAPT P10636 3/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 2/20 0.48
HDAC8 Q9BY41 1/20 0.47
USP2 O75604 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
BACE1 P56817 2/20 0.46
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
AURKB Q96GD4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL32666080 0.77 KDM4E (0.69) KDM4EMAPTALDH1A1POLBHDAC6
SCHEMBL9728467 0.72 RAB9A (0.72) KDM4EMAPTALDH1A1TDP1HDAC6
SCHEMBL1101889 0.71 KDM4E (0.66) KDM4EMAPTALDH1A1POLBHDAC6
SCHEMBL9823749 0.71 KDM4E (0.53) KDM4ECYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL3818640 0.70 HDAC6 (0.66) KDM4EMAPTALDH1A1POLBTDP1
SCHEMBL16629832 0.70 HDAC6 (0.61) KDM4EMAPTALDH1A1POLBTDP1
SCHEMBL28658140 0.70 TDP1 (0.62) KDM4EMAPTALDH1A1POLBTDP1
SCHEMBL8986856 0.69 KDM4E (1.00) KDM4EMAPTALDH1A1POLBTDP1
SCHEMBL22021642 0.69 KDM4E (0.64) KDM4EMAPTALDH1A1POLBTDP1
SCHEMBL2990452 0.69 KDM4E (0.64) KDM4EMAPTALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 EP disclosed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 WO disclosed