SCHEMBL4662703

SCHEMBL4662703

CN(Cc1ccc(Nc2ccccc2Cl)nc1)c1ccccc1CCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.40
JAK1 P23458 8/20 0.40
TYK2 P29597 8/20 0.40
JAK3 P52333 8/20 0.40
CNR2 P34972 2/20 0.39
CDK4 P11802 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK14 Q16539 1/20 0.34
AURKA O14965 1/20 0.34
MELK Q14680 1/20 0.34
P2RX7 Q99572 1/20 0.33
SYK P43405 1/20 0.33
CXCL8 P10145 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 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
SCHEMBL4661452 0.83 CXCL8 (0.36) CDK4CCNE1CDK2AURKAP2RX7
SCHEMBL4661248 0.82 POLB (0.47) SYKMAPT
SCHEMBL4662702 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3CNR2
SCHEMBL4662731 0.76 PTPN1 (0.34) RAB9AALDH1A1
SCHEMBL4347258 0.73 MEN1 (0.49) JAK2JAK1TYK2JAK3CNR2
SCHEMBL4661441 0.72 CDK4 (0.36) CDK4CDK2MAPK14P2RX7MAPT
SCHEMBL4661367 0.71 ACACB (0.42)
SCHEMBL4661324 0.70 PTPN1 (0.39) MAPTALDH1A1L3MBTL1
SCHEMBL28339089 0.70 TDP1 (0.45) RAB9AALDH1A1
SCHEMBL22280477 0.70 CNR2 (0.49) JAK2JAK1TYK2JAK3CNR2

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-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed