SCHEMBL4738295

SCHEMBL4738295

Fc1ccc(NCc2ccc(N3CCNCC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.51
▸ NTRK1 P04629 5/20 0.50
▸ AURKA O14965 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ RET P07949 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47
▸ MAP4K2 Q12851 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47

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
SCHEMBL4737532 0.85 GAA (0.51) NTRK1AURKAABL1LCKCSF1R
SCHEMBL3058922 0.85 HRH4 (0.53) NTRK1AURKAABL1LCKCSF1R
Hydrochloric Acid SCHEMBL3826981 0.84 HRH4 (0.52) NTRK1AURKAABL1LCKCSF1R
SCHEMBL3063613 0.82 DRD2 (0.54) NTRK1AURKAABL1LCKCSF1R
SCHEMBL22279049 0.81 P4HTM (0.51) ALOX12LMNAGAAL3MBTL1KDM4E
SCHEMBL22279043 0.80 P4HTM (0.50) ALOX12LMNAGAAL3MBTL1KDM4E
SCHEMBL27477677 0.80 GAA (0.62) ALOX12LMNAMAOBGAAL3MBTL1
SCHEMBL14303892 0.78 TAAR1 (0.46) BPTFNTRK1AURKARETMET
SCHEMBL22279048 0.78 GAA (0.55) ALOX12LMNAGAAL3MBTL1KDM4E
SCHEMBL1594249 0.77 PLD1 (0.53) BPTFDDB1CRBNHTR6HDAC3

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
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