SCHEMBL13735826

SCHEMBL13735826

Clc1cccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
PTGS2 P35354 2/20 0.47
NR3C2 P08235 2/20 0.46
CAMK2D Q13557 1/20 0.46
STK4 Q13043 3/20 0.46
STK3 Q13188 3/20 0.46
LRRK2 Q5S007 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX12 P18054 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
SCHEMBL13735481 0.84 KDM5A (0.47) MAPTALDH1A1PTGS2NR3C2STK4
SCHEMBL13736967 0.83 PTGS2 (0.60) MAPTALDH1A1PTGS2NPC1RAB9A
SCHEMBL13736564 0.81 CNR2 (0.54) CNR2MAPTALDH1A1PTGS2NPC1
SCHEMBL13734373 0.81 PTGS2 (0.43) CNR2MAPTALDH1A1PTGS2NR3C2
SCHEMBL13736077 0.81 PIK3CD (0.53) ALDH1A1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL13736618 0.81 LRRK2 (0.47) ALDH1A1PTGS2LRRK2SMN1; SMN2PLK4
SCHEMBL13734495 0.81 LRRK2 (0.48) ALDH1A1PTGS2LRRK2SMN1; SMN2CYP1A2
SCHEMBL13737299 0.81 CYP1A2 (0.51) ALDH1A1PTGS2NR3C2STK4STK3
SCHEMBL27948417 0.80 RPS6KA3 (0.47) ALDH1A1PTGS2NR3C2SMN1; SMN2
SCHEMBL13734827 0.79 JAK2 (0.56) PTGS2AKR1C3PKMTSHR

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-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed