SCHEMBL29033688

SCHEMBL29033688

O=c1[nH]ccc(-c2ncccn2)c1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
KDM4E B2RXH2 7/20 0.42
LMNA P02545 7/20 0.42
HIF1A Q16665 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
TP53 P04637 3/20 0.41
BTK Q06187 1/20 0.40
CHEK1 O14757 1/20 0.40
JAK2 O60674 1/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39

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
SCHEMBL787084 0.91 PRKCI (0.51) PRKCIKDM4ELMNAHIF1ACCR1
SCHEMBL5891427 0.80 PRKCI (0.47) PRKCIKDM4ELMNAHIF1ACCR1
SCHEMBL2096438 0.74 PRKCI (0.47) PRKCIKDM4ELMNAHIF1ACCR1
Hydrochloric Acid SCHEMBL3807554 0.73 ALDH1A1 (0.44) PRKCIKDM4ELMNAHIF1ACCR1
SCHEMBL11232049 0.72 PRKCI (0.43) PRKCIKDM4ELMNAHIF1ACCR1
SCHEMBL15260619 0.72 PARP1 (0.43) PRKCIKDM4ELMNACYP1A2BLM
SCHEMBL1710995 0.71 NPC1 (0.45) KDM4ECYP1A2BLMTDP1JAK2
SCHEMBL404747 0.71 PRKCI (0.56) PRKCIKDM4ELMNAHIF1ACCR1
SCHEMBL25434885 0.70 AURKA (0.44) KDM4ELMNAHIF1ACYP1A2BLM
SCHEMBL25434324 0.70 JAK2 (0.37) PRKCIBTKCHEK1JAK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178345-A Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-05-30 CN disclosed
CN-116178345-A Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-05-30 CN disclosed
CN-116178345-A Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-05-30 CN disclosed