SCHEMBL9823173

SCHEMBL9823173

CC(C)(C)C(=O)Nc1nc2ccc(CNCC#Cc3ccc(F)cc3)cc2c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
TNKS O95271 4/20 0.35
PARP1 P09874 4/20 0.35
TNKS2 Q9H2K2 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
SMO Q99835 1/20 0.35
TYMS P04818 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9823085 0.91 MMP13 (0.41) CTNNB1TCF7L2SMN1; SMN2POLBNPC1
SCHEMBL9823392 0.90 DHFR (0.40) SMN1; SMN2POLBNPC1MAPTRAB9A
SCHEMBL9823096 0.88 DHFR (0.38) SMN1; SMN2POLBMAPTRAB9AHPGD
SCHEMBL9823232 0.88 MEN1 (0.36) SMN1; SMN2POLBMAPTTYMSALDH1A1
SCHEMBL9823207 0.87 DHFR (0.41) SMN1; SMN2POLBKDM4ENPC1MAPT
SCHEMBL9823458 0.85 TYMS (0.33) CTNNB1TCF7L2SMN1; SMN2POLBTYMS
SCHEMBL9823234 0.84 TYMS (0.33) SMN1; SMN2POLBTYMSMEN1TSHR
SCHEMBL9823362 0.83 TYMS (0.33) SMN1; SMN2POLBTYMSMEN1TSHR
SCHEMBL9823104 0.81 DHFR (0.44) TYMS
SCHEMBL29850888 0.77 SMN1; SMN2 (0.44) SMN1; SMN2POLBNPC1MAPTRAB9A

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-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 EP disclosed
US-4857530-A THYMIDYLATE SYNTHASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-08-15 US disclosed
EP-0316657-A1 Substituted quinazolinones as anticancer agents WARNER-LAMBERT COMPANY (US) 1989-05-24 EP disclosed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 WO disclosed