SCHEMBL29685062

SCHEMBL29685062

Cn1ncc2c(N)nc(Cl)nc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 13/20 0.60
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.49
CDK1 P06493 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL130521 1.00 PDE2A (0.60) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL55774 0.81 PDE2A (0.64) PDE2AKMT2AGAACYP1A2CYP3A4
SCHEMBL130702 0.81 PI4KA (0.56) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL24393156 0.79 PDE2A (0.62) PDE2AKMT2AGAACYP1A2CYP3A4
SCHEMBL4409891 0.79 PI4KA (0.55) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL130798 0.78 PI4KA (0.53) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL128577 0.78 PI4KA (0.53) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL21481725 0.78 HTT (0.39) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL30095667 0.78 PDE2A (0.60) PDE2AKMT2AGAACYP1A2CYP3A4
SCHEMBL24500179 0.77 KDM4E (0.41) PDE2API4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114667282-B Pyrimidine amide compounds and methods of treating cancer 昊运股份有限公司 2024-09-03 CN disclosed
WO-2023244430-A1 PYRIMIDINE AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2023-12-21 WO disclosed
EP-4048656-A1 PYRIMIDINE AMIDE COMPOUNDS AND USE THEREOF Alphala Co., Ltd. (TW) 2022-08-31 EP disclosed
CN-114667282-A Pyrimidine amide compounds and methods of treating cancer 昊运股份有限公司 2022-06-24 CN disclosed