SCHEMBL13617070

SCHEMBL13617070

Cc1ccc(-c2scnc2N)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
KIT P10721 3/20 0.37
FLT3 P36888 3/20 0.37
SRC P12931 2/20 0.37
RIPK2 O43353 1/20 0.37
PDGFRB P09619 1/20 0.37
SIK1 P57059 1/20 0.37
RIPK4 P57078 1/20 0.37
DDR1 Q08345 1/20 0.37
RIPK1 Q13546 1/20 0.37
DSTYK Q6XUX3 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
CYP2A6 P11509 1/20 0.36
BACE1 P56817 1/20 0.34
KDR P35968 3/20 0.34
RPS6KA3 P51812 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
HDAC1 Q13547 2/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL13616861 0.87 PIM1 (0.40) GRM2SRCPDGFRBCYP2A6BACE1
SCHEMBL13616805 0.76 MPL (0.47) BACE1KDM4EMPLALOX5APFEN1
SCHEMBL13616873 0.72 CLK1 (0.37) KDM4EMEN1KMT2A
SCHEMBL13616971 0.70 MPL (0.38) KDM4EMPL
SCHEMBL5544666 0.70 NPC1 (0.39) RIPK2ESR1ESR2MEN1KMT2A
SCHEMBL13616808 0.70 ALDH1A1 (0.46) FLT3SRCPDGFRBKDRMEN1
SCHEMBL13520606 0.70 GRM2 (0.44) GRM2CYP2A6ESR1ESR2MEN1
SCHEMBL13616946 0.69 ADORA2A (0.40) SRCCYP2A6BACE1KDRKDM4E
SCHEMBL1689568 0.69 MPL (0.63) KDM4EMEN1KMT2AMPLALOX5AP
SCHEMBL25592271 0.68 NSD2 (0.41) CYP2A6HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed