SCHEMBL2561853

SCHEMBL2561853

O=C(O)Oc1c(-c2ccccc2F)nn2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
KDM4E B2RXH2 2/20 0.39
THRB P10828 7/20 0.37
RORC P51449 3/20 0.36
MAPT P10636 1/20 0.36
TGFBR1 P36897 9/20 0.35
MAPK14 Q16539 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 2/20 0.34
PDE4B Q07343 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 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
SCHEMBL2522496 0.81 CSNK1D (0.47) CSNK1DCSNK1EKDM4ETHRBRORC
SCHEMBL2523005 0.75 THRB (0.42) CSNK1DCSNK1EKDM4ETHRBMAPT
SCHEMBL2522815 0.74 CSNK1D (0.44) CSNK1DCSNK1EKDM4EMAPT
SCHEMBL26783498 0.67 CSNK1D (0.39) CSNK1DCSNK1EKDM4ERORCNPC1
SCHEMBL18115090 0.67 CSNK1D (0.48) CSNK1DCSNK1ETHRBRORCTGFBR1
SCHEMBL18114976 0.66 TGFBR1 (0.36) CSNK1DCSNK1EKDM4ETHRBMAPT
SCHEMBL18114967 0.66 TGFBR1 (0.48) THRBMAPTTGFBR1MAPK14
SCHEMBL24194909 0.66 MPO (0.44) CSNK1DCSNK1EMAPK14PDE4B
SCHEMBL30305970 0.66 MPO (0.43) CSNK1DCSNK1EKDM4ERORCMAPT
SCHEMBL24195522 0.66 MPO (0.43) CSNK1DCSNK1EKDM4ERORCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed