SCHEMBL3709664

SCHEMBL3709664

CNc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nc(-c3ccccn3)nn12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.59
AKT2 P31751 12/20 0.59
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
METAP1 P53582 1/20 0.35
MITF O75030 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL3800463 0.90 AKT1 (0.60) AKT1AKT2KDM4ELMNASMN1; SMN2
SCHEMBL13256520 0.83 AKT1 (0.47) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL3702794 0.79 AKT1 (0.56) AKT1AKT2KDM4ELMNASMN1; SMN2
SCHEMBL2978431 0.78 AKT1 (0.49) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL13256563 0.78 AKT1 (0.42) AKT1AKT2MAPT
SCHEMBL13256228 0.74 AKT1 (0.78) AKT1AKT2
SCHEMBL13256519 0.73 AKT1 (0.49) AKT1AKT2KDM4ELMNASMN1; SMN2
SCHEMBL362285 0.73 AKT1 (0.48) AKT1AKT2
SCHEMBL15106691 0.72 AKT1 (0.54) AKT1AKT2KDM4ELMNASMN1; SMN2
SCHEMBL13256521 0.72 AKT1 (0.40) AKT1AKT2KDM4EALDH1A1HPGD

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-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed