SCHEMBL21409810

SCHEMBL21409810

CN(C)c1ccc2ccnc(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.48
PLAU P00749 1/20 0.48
NCF1 P14598 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
TERT O14746 1/20 0.46
APP P05067 1/20 0.46
ADK P55263 7/20 0.41
ROCK1 Q13464 2/20 0.41
EGFR P00533 2/20 0.41
S100A4 P26447 1/20 0.41
CNR2 P34972 1/20 0.40
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
IP6K1 Q92551 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL20557685 0.82 F12 (0.42) F12PLAUNCF1NOS3NOS1
SCHEMBL17861440 0.80 CYP2A6 (0.50) TERTAPPEGFRS100A4CNR2
SCHEMBL22186673 0.79 TERT (0.46) TERTAPPEGFRS100A4CNR2
SCHEMBL31868436 0.76 NOS3 (0.53) F12PLAUNCF1NOS3NOS1
SCHEMBL3747200 0.76 NOS3 (0.53) F12PLAUNCF1NOS3NOS1
SCHEMBL29508479 0.75 F12 (0.57) F12PLAUNCF1NOS3NOS1
SCHEMBL5989271 0.75 F12 (0.57) F12PLAUNCF1NOS3NOS1
SCHEMBL3180290 0.73 PSMB5 (0.49) TERTAPPADKS100A4CNR2
SCHEMBL29439792 0.72 PLAU (0.56) F12PLAUNCF1NOS3NOS1
SCHEMBL29987789 0.72 MAP4K4 (0.54) F12PLAUNCF1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111918961-B Myocardial cell maturation promoter 国立大学法人京都大学 2023-10-24 CN claimed
CN-111918961-A Myocardial cell maturation promoter 国立大学法人京都大学 2020-11-10 CN claimed
WO-2019189554-A1 CARDIOMYOCYTE MATURATION PROMOTER 国立大学法人京都大学 2019-10-03 WO claimed
CN-111918961-B Myocardial cell maturation promoter 国立大学法人京都大学 2023-10-24 CN disclosed
CN-111918961-B Myocardial cell maturation promoter 国立大学法人京都大学 2023-10-24 CN disclosed
CN-111918866-B Heterocyclic compounds 千纸鹤治疗公司 2023-07-04 CN disclosed
CN-111918866-A Heterocyclic compounds 国立大学法人京都大学 2020-11-10 CN disclosed
CN-111918961-A Myocardial cell maturation promoter 国立大学法人京都大学 2020-11-10 CN disclosed
CN-111918961-A Myocardial cell maturation promoter 国立大学法人京都大学 2020-11-10 CN disclosed
WO-2019189553-A1 HETEROCYCLIC COMPOUND 国立大学法人京都大学 2019-10-03 WO disclosed
WO-2019189554-A1 CARDIOMYOCYTE MATURATION PROMOTER 国立大学法人京都大学 2019-10-03 WO disclosed