SCHEMBL5787902

SCHEMBL5787902

CCC(NC(=O)C(CCC#N)OC)c1cc2onc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
DCTPP1 Q9H773 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PLA2G2A P14555 1/20 0.31

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
SCHEMBL5899038 0.86 KIF11 (0.47) KIF11POLBTSHRLMNAMAPT
SCHEMBL5787761 0.85 KIF11 (0.38) KIF11POLBLMNAMAPTSMN1; SMN2
SCHEMBL5790994 0.82 KIF11 (0.36) KIF11POLBMAPTMEN1KMT2A
SCHEMBL5790138 0.73 KIF11 (0.45) KIF11LMNAALDH1A1GAA
SCHEMBL5784700 0.73 KIF11 (0.40) KIF11POLBSMN1; SMN2TP53MEN1
SCHEMBL5787320 0.71 KIF11 (0.51) KIF11
SCHEMBL5789734 0.71 KIF11 (0.42) KIF11
SCHEMBL5787757 0.70 KIF11 (0.51) KIF11POLBLMNASMN1; SMN2HPGD
SCHEMBL5785400 0.70 KIF11 (0.49) KIF11
SCHEMBL5787670 0.69 ALDH1A1 (0.40) KIF11POLBTSHRLMNASMN1; SMN2

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-1628981-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004106492-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO disclosed