SCHEMBL16712464

SCHEMBL16712464

C=C(C(=O)O)C(O)c1cccnc1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
CASP1 P29466 1/20 0.38
HPGD P15428 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL3639223 0.83 P2RX7 (0.42) P2RX7MKNK1MKNK2
SCHEMBL462122 0.81 CASP1 (0.63) P2RX7CASP1HPGD
SCHEMBL13044544 0.74 KMT2A (0.44) P2RX7CASP1HPGD
SCHEMBL6178284 0.74 P2RX7 (0.43) P2RX7MKNK1MKNK2
SCHEMBL11072786 0.73 P2RX7 (0.40) P2RX7MKNK1MKNK2
SCHEMBL25512311 0.73 MMP2 (0.43) P2RX7MKNK1MKNK2
SCHEMBL6274638 0.71 KDM4E (0.47) HPGD
SCHEMBL8591958 0.71 P2RX7 (0.45) P2RX7MKNK1MKNK2
SCHEMBL30360466 0.71 KDM4E (0.47) HPGD
SCHEMBL23489779 0.71 P2RX7 (0.39) P2RX7HPGDMKNK1MKNK2

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
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed