SCHEMBL20125026

SCHEMBL20125026

Cc1cc(C(F)(F)F)c2nccn2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
TNKS O95271 2/20 0.38
DRD1 P21728 1/20 0.36
NUDT1 P36639 1/20 0.34
NTRK1 P04629 1/20 0.33
EPHB4 P54760 1/20 0.32
KCNH2 Q12809 1/20 0.32
RAF1 P04049 3/20 0.32
BRAF P15056 3/20 0.32
GRM5 P41594 1/20 0.32
ADORA2A P29274 1/20 0.32
ACKR3 P25106 1/20 0.31

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
SCHEMBL24857525 0.84 L3MBTL1 (0.47) L3MBTL1TNKSNUDT1ACKR3
SCHEMBL15828606 0.79 TNKS (0.43) L3MBTL1TNKSDRD1NUDT1NTRK1
SCHEMBL15743211 0.79 L3MBTL1 (0.59) L3MBTL1TNKSDRD1NUDT1GRM5
SCHEMBL20801915 0.78 L3MBTL1 (0.39) L3MBTL1TNKSDRD1NUDT1GRM5
SCHEMBL20124995 0.78 L3MBTL1 (0.49) L3MBTL1TNKSNUDT1ADORA2AACKR3
SCHEMBL2260742 0.77 L3MBTL1 (0.67) L3MBTL1TNKSNUDT1ACKR3
SCHEMBL13821670 0.76 L3MBTL1 (0.50) L3MBTL1TNKSNUDT1ADORA2AACKR3
SCHEMBL25096433 0.75 GRM5 (0.41) GRM5
SCHEMBL3782021 0.75 XDH (0.44) L3MBTL1DRD1NUDT1RAF1BRAF
SCHEMBL31240834 0.75 L3MBTL1 (0.46) L3MBTL1TNKSNUDT1EPHB4KCNH2

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed