SCHEMBL6984203

SCHEMBL6984203

Cn1cc(-n2c(-c3cn(Cc4ccccc4CN)c4ccccc34)c(C#N)[nH]c2=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
CAMK2D Q13557 1/20 0.41
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
TSHR P16473 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 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
Trifluoroacetic Acid SCHEMBL6985520 0.93 PIM1 (0.36) PIM1CAMK2DCCNT1CDK9ALDH1A1
SCHEMBL6980594 0.89 PIM1 (0.41) PIM1CAMK2DCCNT1CDK9ALDH1A1
SCHEMBL6977406 0.87 CAMK2D (0.56) PIM1CAMK2DCCNT1CDK9PRKACA
SCHEMBL6983884 0.87 PIM1 (0.39) PIM1CAMK2DCCNT1CDK9MAPT
SCHEMBL6974638 0.87 PRKCB (0.40) PIM1CAMK2DCCNT1CDK9ALDH1A1
Hydrochloric Acid SCHEMBL6978191 0.86 PIM1 (0.39) PIM1CAMK2DCCNT1CDK9MAPT
SCHEMBL6975973 0.86 CAMK2D (0.53) PIM1CAMK2DCCNT1CDK9PRKCA
SCHEMBL6983267 0.85 CCNE2 (0.45) PIM1CAMK2DCCNT1CDK9ALDH1A1
SCHEMBL6976153 0.84 PIM1 (0.40) PIM1CAMK2DCCNT1CDK9MAPT
Hydrochloric Acid SCHEMBL6975831 0.83 PIM1 (0.39) PIM1CAMK2DCCNT1CDK9MAPT

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 6 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 claimed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US claimed
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
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed