SCHEMBL1704146

SCHEMBL1704146

Cc1cc(Nc2cc3ccccc3c(-c3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)n2)nn1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
JAK1 P23458 1/20 0.42
PDK4 Q16654 1/20 0.42
SOS1 Q07889 1/20 0.41
GRM5 P41594 7/20 0.40
GRM1 Q13255 7/20 0.40
TNK2 Q07912 1/20 0.40
HTR6 P50406 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CDK7 P50613 1/20 0.39
CDK13 Q14004 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KIT P10721 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL902789 0.91 ALDH1A1 (0.42) SOS1KDM4EALDH1A1
SCHEMBL901343 0.87 NAMPT (0.44) NAMPTJAK1PDK4SOS1GRM5
SCHEMBL1704903 0.86 GRM1 (0.45) NAMPTJAK1PDK4SOS1GRM5
SCHEMBL1704989 0.85 NAMPT (0.44) NAMPTJAK1PDK4SOS1GRM5
SCHEMBL902803 0.85 PDE10A (0.45) NAMPTJAK1PDK4SOS1GRM5
SCHEMBL902875 0.82 IGF1R (0.42) NAMPT
SCHEMBL1704495 0.81 PDK4 (0.48) NAMPTJAK1PDK4SOS1GRM5
SCHEMBL1704634 0.77 ALDH1A1 (0.38) NAMPTKDM4EALDH1A1
SCHEMBL1704967 0.75 ALDH1A1 (0.44) CDK7KDM4EALDH1A1
SCHEMBL902774 0.75 ALDH1A1 (0.37) SOS1KDM4EALDH1A1

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed