SCHEMBL22085122

SCHEMBL22085122

CC(C)OB(OC(C)C)c1ccc(Cn2cnc3c(S)ncnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.43
▸ FGFR4 P22455 4/20 0.43
▸ DAPK1 P53355 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL22085120 0.84 DAPK1 (0.42) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22084386 0.80 ADORA2A (0.47) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22084384 0.76 DAPK1 (0.50) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22084387 0.70 PDE10A (0.48) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL29375815 0.70 ADORA2A (0.41) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22084396 0.70 ADORA2A (0.41) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22084395 0.70 ADORA2A (0.41) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22084385 0.68 PDE10A (0.46) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22085121 0.68 PDE10A (0.46) FGFR1FGFR4DAPK1ADORA2API4KA
SCHEMBL22533420 0.68 HPGD (0.56) FGFR1FGFR4DAPK1ADORA2API4KA

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-2020117938-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-06-11 — — WO disclosed
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