SCHEMBL29646433

SCHEMBL29646433

Cc1ccccc1-c1nc2c3ccccc3nc(NC3CN(C(=O)OCc4ccccc4)CCNC3=O)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
PARP1 P09874 2/20 0.38
LCK P06239 2/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
USP30 Q70CQ3 1/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
HCRTR1 O43613 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL22981361 1.00 ALPL (0.38) ALPLALPIALPGPARP1LCK
SCHEMBL29649002 0.96 ALPL (0.35) ALPLALPIALPGPARP1LCK
SCHEMBL22988112 0.91 MAPT (0.40) ALPLALPIALPGPARP1LCK
SCHEMBL22987881 0.90 TSHR (0.38) ALPLALPIALPGPARP1LCK
SCHEMBL22988054 0.90 LCK (0.37) ALPLPARP1LCKTNKSTNKS2
SCHEMBL22988053 0.89 LCK (0.36) ALPLPARP1LCKTNKSTNKS2
SCHEMBL22987506 0.89 MGLL (0.39) ALPLALPIALPGPARP1LCK
SCHEMBL29646397 0.89 MGLL (0.39) ALPLALPIALPGPARP1LCK
SCHEMBL25118860 0.88 LCK (0.38) ALPLALPIALPGPARP1LCK
SCHEMBL22987721 0.88 TNKS (0.39) ALPLALPIALPGPARP1LCK

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
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed