SCHEMBL3649237

SCHEMBL3649237

O=C(O)N(c1ccc(Cl)cc1)c1cncc(-c2ccn[nH]2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PTPN11 Q06124 1/20 0.39
ATR Q13535 1/20 0.38
PIM1 P11309 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
HPGDS O60760 1/20 0.34
CYP4F2 P78329 12/20 0.33
CYP4A11 Q02928 12/20 0.33
ALOX15 P16050 1/20 0.33
BCAT2 O15382 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
SCHEMBL2890768 0.84 MT-CO2 (0.41) POLBPTPN11ATRCYP4F2CYP4A11
SCHEMBL3655649 0.80 RAB9A (0.36) ALOX15
SCHEMBL3647691 0.80 CNR1 (0.41)
SCHEMBL3646652 0.79 KDM4E (0.42) POLB
SCHEMBL3653802 0.76 MAP4K4 (0.36) ALOX15
SCHEMBL3651665 0.75 CYP1A2 (0.42)
SCHEMBL3655990 0.75 RAB9A (0.42)
SCHEMBL3649322 0.71 CNR1 (0.47)
SCHEMBL3650950 0.71 SCN2A (0.36) POLB
SCHEMBL13028188 0.69 KDR (0.48) POLBPTPN11PIM1

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-2203436-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-07-07 EP disclosed
WO-2009037247-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-03-26 WO disclosed