SCHEMBL17135682

SCHEMBL17135682

COc1ccc(-c2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)c3[nH]ncc3n2)cc1.COc1ccc(-c2nc(Nc3ccc(N4CCS(=O)(=O)CC4)cc3)c3[nH]ncc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.53
JAK2 O60674 6/20 0.53
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALK Q9UM73 2/20 0.43
JAK3 P52333 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL14320458 0.95 SYK (0.57) SYKJAK2HTR2AHTR2CMAPT
SCHEMBL14320264 0.93 SYK (0.55) SYKJAK2HTR2AHTR2CJAK3
SCHEMBL14320440 0.86 JAK2 (0.55) SYKJAK2HTR2AHTR2C
SCHEMBL14320283 0.82 SYK (0.58) SYKJAK2HTR2AHTR2CMAPT
SCHEMBL15651346 0.82 SYK (0.49) SYKJAK2MAPTSMN1; SMN2ALK
SCHEMBL14320599 0.81 SYK (0.53) SYKJAK2HTR2AHTR2C
SCHEMBL14320292 0.81 SYK (0.54) SYKJAK2HTR2AHTR2C
SCHEMBL14320922 0.81 SYK (0.51) SYKJAK2ALK
SCHEMBL15652909 0.81 SYK (0.61) SYKJAK2ALK
SCHEMBL15652312 0.81 SYK (0.49) SYKJAK2ALK

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-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP claimed