SCHEMBL8934855

SCHEMBL8934855

Nc1cc2[nH]cnc(=O)c2cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PNP P00491 2/20 0.42
PARP1 P09874 3/20 0.38
PRKCI P41743 1/20 0.37
RAD52 P43351 1/20 0.36
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
IP6K1 Q92551 2/20 0.33
CHEK1 O14757 2/20 0.33
MEN1 O00255 1/20 0.33
PRNP P04156 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4006707 0.85 MAPT (0.43) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL7970840 0.77 PNP (0.40) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL8700858 0.77 PARP1 (0.54) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL1663769 0.77 PRKCI (0.56) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL3429702 0.76 MAPT (0.43) MAPTALDH1A1PNPPARP1HPGD
SCHEMBL4565100 0.76 BCL2 (0.44) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL22962863 0.76 PARP1 (0.41) MAPTALDH1A1PNPPARP1HPGD
Bromide SCHEMBL2051879 0.74 BCL2 (0.43) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL30882780 0.73 PDE3B (0.44) MAPTALDH1A1KDM4EPARP1HPGD
SCHEMBL29258736 0.73 PDE3B (0.44) MAPTALDH1A1KDM4EPARP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996029331-A1 IMIDAZOQUINAZOLINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION DR. KARL THOMAE GMBH (DE) 1996-09-26 WO disclosed