SCHEMBL29210682

SCHEMBL29210682

Cc1nc(C)c2cc(Nc3ccccc3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 4/20 0.44
AR P10275 1/20 0.44
NPY5R Q15761 2/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PTGS2 P35354 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL29210710 0.89 ALDH1A1 (0.44) CDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL27890181 0.74 TERT (0.69) MEN1KMT2AALOX15
SCHEMBL4745308 0.74 NSD2 (0.49) CDK2HSD17B10NPSR1MEN1KMT2A
SCHEMBL4748569 0.74 LMNA (0.58) CDK2NPSR1KMT2AMAPTNPY5R
SCHEMBL13312384 0.74 TRIM58 (0.49) CDK2ALDH1A1NPY5RL3MBTL1KDM4E
SCHEMBL12501247 0.72 LMNA (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL196601 0.72 GPR3 (0.64) ALDH1A1HPGDHSD17B10NPSR1MEN1
SCHEMBL10939039 0.71 KDM1A (0.70) ALDH1A1HPGDHSD17B10CYP3A4NPSR1
SCHEMBL12501269 0.71 MPO (0.58) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL17532730 0.71 MAPT (0.52) ALDH1A1HPGDHSD17B10MAPTTDP1

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-117736207-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-03-22 CN disclosed
CN-115362003-B Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-03-22 CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed