SCHEMBL18924297

SCHEMBL18924297

CCCC(C)c1ncnc2ccsc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2C P28335 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA2B P29275 3/20 0.36
PIP4K2C Q8TBX8 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PDE7A Q13946 2/20 0.33
EGFR P00533 2/20 0.33
FADS1 O60427 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20072472 0.87 AXL (0.47) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL6371631 0.80 AXL (0.53) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL12557914 0.75 ADORA2A (0.35) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL19565807 0.75 CHEK1 (0.45) L3MBTL1MEN1KMT2AAURKB
SCHEMBL21101028 0.74 ADORA2A (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL21362866 0.71 SMN1; SMN2 (0.43) PDE4BPDE4APDE4CPDE4DADORA2A
SCHEMBL236691 0.71 PDE4A (0.47) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL13955562 0.70 AXL (0.50) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL4572141 0.69 AXL (0.53) AXLMKNK1MKNK2PDE4BPDE4A
SCHEMBL24292896 0.69 AXL (0.49) AXLMKNK1MKNK2PDE4BPDE4A

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
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 US disclosed