SCHEMBL6985899

SCHEMBL6985899

CCOC(=O)n1cc(-n2c(-c3cn(CCCCN4C(=O)c5ccccc5C4=O)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
NR2F2 P24468 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CNR2 P34972 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6981135 0.98 ALDH1A1 (0.40) MAPTALDH1A1NPSR1CCNT1CDK9
SCHEMBL6980034 0.90 CCNT1 (0.48) MAPTCCNT1CDK9CCNA2CDK2
SCHEMBL6981894 0.88 MAPT (0.37) MAPTALDH1A1CCNT1CDK9CCNA2
SCHEMBL6981421 0.86 ALDH1A1 (0.42) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL7011646 0.84 ALDH1A1 (0.39) MAPTALDH1A1NPSR1CCNT1CDK9
SCHEMBL7009411 0.83 ALDH1A1 (0.41) MAPTALDH1A1NPSR1CCNT1CDK9
SCHEMBL6975872 0.79 CNR1 (0.44) MAPTCCNT1CDK9CCNA2CDK2
SCHEMBL6980479 0.78 CAMK2D (0.45) CCNT1CDK9CCNA2CDK2
SCHEMBL6977867 0.77 ATM (0.35) CCNT1CDK9CDK2
SCHEMBL6975973 0.77 CAMK2D (0.53) CCNT1CDK9CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed