SCHEMBL11547422

SCHEMBL11547422

O=c1[nH]cnc2nc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
PARP1 P09874 7/20 0.56
PDPK1 O15530 1/20 0.56
CA12 O43570 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA9 Q16790 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
IP6K1 Q92551 5/20 0.49
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ACVR1 Q04771 1/20 0.43
IP6K3 Q96PC2 3/20 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
SCHEMBL2921734 0.77 PARP1 (0.61) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL29744436 0.77 PARP1 (0.61) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL8131559 0.76 PARP1 (0.51) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL3075337 0.75 ALDH1A1 (0.53) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL10637102 0.75 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL9686737 0.75 GAA (0.63) PARP1SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL13981736 0.74 ALDH1A1 (0.63) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL634894 0.72 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL88525 0.72 PARP1 (1.00) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL27983253 0.72 PARP1 (1.00) PARP1PDPK1CA12ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 US disclosed
US-4011324-A Esters and amides of pyrimido[4,5-b]quinolin-4(3H)-one-2-carboxylic acids as antiulcer agents PFIZER INC. (US) 1977-03-08 US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 US disclosed