SCHEMBL14163334

SCHEMBL14163334

COc1ccc(C(F)(F)c2cc(N3CCC(O)CC3)ncn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.41
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ DCK P27707 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRM4 P08173 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38

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
SCHEMBL311500 0.77 DCK (0.72) DCK
SCHEMBL14163253 0.74 LRRK2 (0.44) LRRK2ITGB2ICAM1ITGALKDM4E
SCHEMBL14163244 0.74 GRM3 (0.46) LRRK2MAPTCHRM4
SCHEMBL14163337 0.72 LRRK2 (0.42) LRRK2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11981591 0.67 SMO (0.46) LRRK2ITGB2ICAM1ITGALKDM4E
SCHEMBL3391134 0.67 SLC18A3 (0.60) MEN1ALDH1A1KMT2AMAPTPOLB
SCHEMBL30837878 0.66 LRRK2 (0.40) LRRK2ITGB2ICAM1ITGALCYP2C19
SCHEMBL30576088 0.65 CCNE2 (0.47) ITGB2ICAM1ITGAL
SCHEMBL16903676 0.65 TRPA1 (0.41) KDM4EMAPTLCAT
SCHEMBL30576056 0.65 F2 (0.49) ITGB2ICAM1ITGALKDM4EMEN1

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-2008076779-A2 2-(PIPERIDIN-4-YL0XY)PYRIMIDIN-4-AMINE DERIVATIVES AS DEOXYCYTIDINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-06-26 — — WO disclosed
Send feedback