SCHEMBL6981894

SCHEMBL6981894

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CREBBP Q92793 1/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
CNR1 P21554 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 2/20 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
SCHEMBL6980034 0.89 CCNT1 (0.48) MAPTSMN1; SMN2CCNT1CDK9CCNA2
SCHEMBL6981135 0.88 ALDH1A1 (0.40) MAPTSMN1; SMN2LMNAHTTTDP1
SCHEMBL6985899 0.88 MAPT (0.40) MAPTSMN1; SMN2LMNAHTTTDP1
SCHEMBL6979608 0.87 CAMK2D (0.35) SMN1; SMN2LMNAALDH1A1CREBBPKMT2A
SCHEMBL6975872 0.78 CNR1 (0.44) MAPTCCNT1CDK9CCNA2CDK2
SCHEMBL6977867 0.78 ATM (0.35) CCNT1CDK9CDK2GSK3BCAMK2D
SCHEMBL6980479 0.77 CAMK2D (0.45) CCNT1CDK9CCNA2CDK2CAMK2D
SCHEMBL6977406 0.77 CAMK2D (0.56) CCNT1CDK9CAMK2DPIM1
SCHEMBL6975973 0.76 CAMK2D (0.53) CCNT1CDK9CCNA2CDK2CAMK2D
SCHEMBL6981421 0.75 ALDH1A1 (0.42) MAPTSMN1; SMN2LMNAHTTALDH1A1

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