SCHEMBL7980737

SCHEMBL7980737

O=c1[nH]cnc2ccc(-c3ccccc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 5/20 0.67
IP6K1 Q92551 5/20 0.63
IP6K3 Q96PC2 4/20 0.63
IP6K2 Q9UHH9 3/20 0.63
PARP1 P09874 7/20 0.62
PDPK1 O15530 1/20 0.62
CA12 O43570 1/20 0.62
ALOX15 P16050 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CA9 Q16790 1/20 0.62
TNKS2 Q9H2K2 1/20 0.62
CHEK1 O14757 1/20 0.60
PIM1 P11309 1/20 0.60
AKT1 P31749 1/20 0.60
FLT3 P36888 1/20 0.60
PIM3 Q86V86 1/20 0.60
PIK3CD O00329 1/20 0.58
TGFBR1 P36897 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
SCHEMBL8622180 0.93 ACVR1 (0.73) ACVR1IP6K1IP6K3PARP1PDPK1
SCHEMBL3739920 0.88 IP6K1 (0.61) ACVR1IP6K1IP6K3IP6K2PARP1
SCHEMBL3731351 0.87 ACVR1 (0.60) ACVR1IP6K1IP6K3IP6K2PARP1
SCHEMBL12476626 0.86 PARP1 (0.62) ACVR1IP6K1IP6K3IP6K2PARP1
SCHEMBL13820309 0.85 PARP1 (0.78) ACVR1IP6K1IP6K3PARP1CHEK1
SCHEMBL7980108 0.85 QPCT (0.65) ACVR1IP6K1IP6K3PARP1CHEK1
SCHEMBL30669818 0.85 QPCT (0.65) ACVR1IP6K1IP6K3PARP1CHEK1
SCHEMBL18712269 0.83 ACVR1 (0.69) ACVR1IP6K1IP6K3IP6K2PARP1
SCHEMBL24155902 0.82 ACVR1 (0.61) ACVR1IP6K1IP6K3IP6K2PARP1
SCHEMBL6869415 0.81 ACVR1 (0.63) ACVR1IP6K1PARP1PDPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed