SCHEMBL3661701

SCHEMBL3661701

SCc1ncnc2nc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.57
PI4K2B Q8TCG2 2/20 0.57
PI4K2A Q9BTU6 2/20 0.57
PI4KB Q9UBF8 2/20 0.57
LRRK2 Q5S007 2/20 0.57
LMNA P02545 2/20 0.57
DRD3 P35462 1/20 0.57
XDH P47989 1/20 0.57
G6PD P11413 1/20 0.55
TP53 P04637 2/20 0.52
HSD17B10 Q99714 1/20 0.52
PDPK1 O15530 2/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
CHEK2 O96017 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PRKACA P17612 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL2930055 0.80 HSD17B10 (0.56) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL11903083 0.80 CYP3A4 (0.53) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL3313639 0.80 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL532653 0.76 HIF1A (0.49) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL6749169 0.76 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL7073449 0.74 HTT (0.56) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL4419598 0.74 PAK1 (0.60) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL30295447 0.73 HSD17B10 (0.53) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL5384434 0.73 CDC7 (0.59) LMNATP53HSD17B10PRKACACDK2
SCHEMBL5433393 0.73 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBLRRK2

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-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 WO disclosed