SCHEMBL8782182

SCHEMBL8782182

O=c1[nH]cnc2ccc(-c3ncc[nH]3)cc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.57
PARP1 P09874 7/20 0.54
CHEK1 O14757 1/20 0.54
PIM1 P11309 1/20 0.54
AKT1 P31749 1/20 0.54
FLT3 P36888 1/20 0.54
PIM3 Q86V86 1/20 0.54
IP6K1 Q92551 3/20 0.50
IP6K3 Q96PC2 1/20 0.49
SLC2A1 P11166 1/20 0.49

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
SCHEMBL8550755 0.88 ALDH1A1 (0.58) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL8622180 0.84 ACVR1 (0.73) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL7980737 0.78 ACVR1 (0.67) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL6773430 0.77 ACVR1 (0.53) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL13820309 0.76 PARP1 (0.78) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL8782197 0.76 ACVR1 (0.63) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL12441754 0.75 PARP1 (0.60) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL7980108 0.74 QPCT (0.65) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL30669818 0.74 QPCT (0.65) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL6869415 0.73 ACVR1 (0.63) ACVR1PARP1CHEK1PIM1AKT1

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-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 WO disclosed