SCHEMBL4705576

SCHEMBL4705576

c1ccc(NC2CCCNC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.52
▸ PRKCZ Q05513 4/20 0.48
▸ LCK P06239 1/20 0.46
▸ RET P07949 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ BLK P51451 1/20 0.46
▸ IRAK1 P51617 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ SRPK1 Q96SB4 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PRKD2 Q9BZL6 3/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ AURKA O14965 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KDM1A O60341 1/20 0.44

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
SCHEMBL2351225 0.95 IRAK4 (0.48) IRAK4PRKCZLCKRETPDGFRB
SCHEMBL30632323 0.90 IRAK4 (0.50) IRAK4FLT3IRAK1PRKD2RPS6KB1
SCHEMBL17961796 0.90 IRAK4 (0.50) IRAK4FLT3IRAK1PRKD2RPS6KB1
SCHEMBL13326544 0.90 IRAK4 (0.50) IRAK4FLT3IRAK1PRKD2RPS6KB1
SCHEMBL6216854 0.90 IRAK4 (0.50) IRAK4FLT3IRAK1PRKD2RPS6KB1
SCHEMBL25422820 0.90 IRAK4 (0.50) IRAK4FLT3IRAK1PRKD2RPS6KB1
Hydrochloric Acid SCHEMBL4056190 0.89 IRAK4 (0.49) IRAK4FLT3IRAK1PRKD2
Hydrochloric Acid SCHEMBL4056189 0.89 IRAK4 (0.49) IRAK4FLT3IRAK1PRKD2
SCHEMBL18497478 0.83 HRH3 (0.53) IRAK4FLT3ALDH1A1SMN1; SMN2MAPK10
Hydrochloric Acid SCHEMBL34474187 0.82 HRH3 (0.51) IRAK4FLT3ALDH1A1SMN1; SMN2MAPK10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 — — WO disclosed
EP-1742935-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 — — EP disclosed
EP-1742634-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAgen, Incorporated (US) 2007-01-17 — — EP disclosed
EP-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 — — EP disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 — — EP disclosed
WO-2005121126-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-12-22 — — WO disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 — — WO disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 — — WO disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 — — WO disclosed
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