SCHEMBL19249762

SCHEMBL19249762

COc1cc(C(C)C)c2ncccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PRMT5 O14744 1/20 0.41
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.38
BCL2L11 O43521 2/20 0.37
BCL2L1 Q07817 2/20 0.37
BID P55957 1/20 0.37
BAK1 Q16611 1/20 0.37
BBC3 Q9BXH1 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
NPC1 O15118 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL16019540 0.79 BCL2L1 (0.47) KDM4EALDH1A1HPGDBCL2L11BCL2L1
SCHEMBL19250462 0.79 PRMT5 (0.44) TOP1KDM4EALDH1A1PRMT5PIP4K2C
SCHEMBL13271032 0.79 ALDH1A1 (0.56) TOP1KDM4EALDH1A1HPGDPRMT5
SCHEMBL14666994 0.79 PRMT5 (0.47) TOP1KDM4EALDH1A1PRMT5PIP4K2C
SCHEMBL23717084 0.72 PDGFRB (0.46) TOP1PRMT5PDGFRBPDGFRANPC1
SCHEMBL4569225 0.71 ALDH1A1 (0.40) TOP1KDM4EALDH1A1PRMT5PIP4K2C
SCHEMBL14670848 0.70 PRMT5 (0.38) TOP1KDM4EALDH1A1PRMT5PDGFRB
SCHEMBL7227501 0.70 MEN1 (0.45) KDM4EALDH1A1HPGDBCL2L11BCL2L1
SCHEMBL18368398 0.69 BCL2L1 (0.56) KDM4EALDH1A1HPGDBCL2L11BCL2L1
SCHEMBL7225702 0.69 MAPT (0.46) ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133664-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed