SCHEMBL17644593

SCHEMBL17644593

COc1cc(C2CN(C=O)CCO2)ccc1Nc1ncc(Cl)c(NCC2CCCO2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 9/20 0.65
▸ ALK Q9UM73 6/20 0.65
▸ JAK2 O60674 2/20 0.65
▸ SRC P12931 2/20 0.65
▸ ROS1 P08922 3/20 0.56
▸ CHEK1 O14757 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ LRRK2 Q5S007 4/20 0.49
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ INSR P06213 2/20 0.46
▸ EGFR P00533 2/20 0.46
▸ IGF1R P08069 1/20 0.46

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
SCHEMBL17644553 0.91 LRRK2 (0.56) TNK2ALKJAK2SRCROS1
SCHEMBL17644592 0.91 LRRK2 (0.56) TNK2ALKJAK2SRCROS1
SCHEMBL17644522 0.88 LRRK2 (0.63) TNK2ALKJAK2SRCLRRK2
SCHEMBL17644564 0.87 LRRK2 (0.51) TNK2ALKJAK2SRCLRRK2
SCHEMBL17644583 0.87 LRRK2 (0.60) TNK2ALKJAK2SRCLRRK2
SCHEMBL17644512 0.87 LRRK2 (0.59) TNK2ALKJAK2SRCLRRK2
SCHEMBL17644537 0.87 LRRK2 (0.59) TNK2ALKJAK2SRCLRRK2
SCHEMBL17644540 0.86 LRRK2 (0.59) LRRK2
SCHEMBL17644518 0.86 LRRK2 (0.53) TNK2ALKJAK2SRCLRRK2
SCHEMBL17644590 0.86 ALK (0.47) TNK2ALKJAK2SRCLRRK2

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-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 — — EP claimed
Send feedback