SCHEMBL6981135

SCHEMBL6981135

CCOC(=O)n1cc(-n2c(-c3cn(CCCN4C(=O)c5ccccc5C4=O)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6985899 0.98 MAPT (0.40) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL6980034 0.89 CCNT1 (0.48) MAPTMEN1KMT2ACCNT1CDK9
SCHEMBL6981894 0.88 MAPT (0.37) ALDH1A1MAPTMEN1KMT2ACCNT1
SCHEMBL6981421 0.87 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL7011646 0.86 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL7009411 0.84 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL6975872 0.77 CNR1 (0.44) MAPTCCNT1CDK9CCNA2CDK2
SCHEMBL6977867 0.77 ATM (0.35) CCNT1CDK9CDK2CAMK2DGSK3B
SCHEMBL6980479 0.76 CAMK2D (0.45) CCNT1CDK9CCNA2CDK2CAMK2D
SCHEMBL6977406 0.76 CAMK2D (0.56) CCNT1CDK9CAMK2D

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