SCHEMBL4599284

SCHEMBL4599284

C[As](c1ccco1)c1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL63355 0.73 CYP1A2 (0.33) PI4KAPI4K2BPI4K2API4KB
SCHEMBL63354 0.70 CDK1 (0.61) CCNB2CDK1CCNB1CCNB3
SCHEMBL4599282 0.70 CCNB2 (0.36) CCNB2CDK1CCNB1CCNB3
SCHEMBL6699970 0.69 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KB
SCHEMBL9705370 0.69 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBCDK1
SCHEMBL30668845 0.67 CYP11B1 (0.37)
SCHEMBL20637862 0.67 CYP11B1 (0.37)
SCHEMBL5857609 0.66 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KB
SCHEMBL16783778 0.64 ADORA3 (0.39) CCNB2CDK1CCNB1CCNB3
SCHEMBL17892682 0.63 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KB

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-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed