SCHEMBL12323366

SCHEMBL12323366

O=C1Nc2cnc(Cl)nc2N2CCN(c3ccccc3)C[C@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
USP2 O75604 2/20 0.35
CYP2D6 P10635 1/20 0.35
GSK3B P49841 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL12323364 0.77 MAPT (0.49) MAPTALDH1A1HSD17B10KMT2AHPGD
SCHEMBL12323830 0.77 MAPT (0.49) MAPTALDH1A1HSD17B10KMT2AHPGD
SCHEMBL5936890 0.76 ALDH1A1 (0.64) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL15223583 0.76 ALDH1A1 (0.64) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5936773 0.75 ALDH1A1 (0.60) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1688454 0.74 ALDH1A1 (0.58) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3670859 0.74 GAA (0.42) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL2075063 0.73 MTOR (0.55) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL12323369 0.72 DDB1 (0.39) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL14940925 0.72 MAPT (0.39) MAPTALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113293-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 (CN) 2011-09-22 WO disclosed