SCHEMBL8622180

SCHEMBL8622180

O=c1[nH]cnc2ccc(-c3ccc(-c4ccc5nc[nH]c(=O)c5c4)cc3)cc12

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 8/20 0.73
▸ PARP1 P09874 8/20 0.68
▸ CHEK1 O14757 1/20 0.68
▸ PIM1 P11309 1/20 0.68
▸ AKT1 P31749 1/20 0.68
▸ FLT3 P36888 1/20 0.68
▸ PIM3 Q86V86 1/20 0.68
▸ IP6K1 Q92551 2/20 0.62
▸ SLC2A1 P11166 1/20 0.60
▸ PDPK1 O15530 1/20 0.60
▸ CA12 O43570 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ TNKS2 Q9H2K2 1/20 0.60
▸ IP6K3 Q96PC2 1/20 0.58

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
SCHEMBL7980737 0.93 ACVR1 (0.67) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL13820309 0.91 PARP1 (0.78) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL6869415 0.87 ACVR1 (0.63) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL3731351 0.87 ACVR1 (0.60) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL12441754 0.86 PARP1 (0.60) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL13718572 0.84 PARP1 (0.63) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL7980108 0.84 QPCT (0.65) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL28224560 0.84 IP6K1 (0.62) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL3739920 0.84 IP6K1 (0.61) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL30669818 0.84 QPCT (0.65) 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
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 — — US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 — — US disclosed
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