SCHEMBL18239045

SCHEMBL18239045

CCc1ncnc2c(=O)cc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.37
KMT2A Q03164 1/20 0.36
JAK2 O60674 6/20 0.35
JAK1 P23458 5/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DYRK1A Q13627 1/20 0.33
REN P00797 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL19152784 0.77 CCR8 (0.41) CCR8KMT2AJAK2JAK1ADORA2A
SCHEMBL2760379 0.75 DYRK1A (0.53) DYRK1AREN
SCHEMBL18238494 0.73 ADORA2A (0.40) KMT2AJAK2JAK1ADORA2AADORA1
SCHEMBL19130905 0.73 FFAR2 (0.40) CCR8KMT2AJAK2JAK1ADORA2A
SCHEMBL18238200 0.73 CCR8 (0.50) CCR8KMT2AADORA2AADORA1PDE3B
SCHEMBL4006768 0.65 TTBK1 (0.48) JAK2JAK1
SCHEMBL13178567 0.65 REN (0.43) RENPDE3BPDE3A
SCHEMBL17128274 0.65 CCR8 (0.47) CCR8KMT2AJAK2JAK1ADORA2A
SCHEMBL18238493 0.63 PDE3B (0.47) KMT2AADORA2AADORA1PDE3BPDE3A
SCHEMBL24908744 0.63 PDPK1 (0.40) ADORA2A

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-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed