SCHEMBL8505142

SCHEMBL8505142

Clc1cc(CCNc2ncnc3ccccc23)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.68
LMNA P02545 4/20 0.67
APP P05067 3/20 0.67
EGFR P00533 3/20 0.67
MAPK1 P28482 3/20 0.67
AURKA O14965 1/20 0.53
NR2F2 P24468 3/20 0.51
GALR3 O60755 2/20 0.51
RAB9A P51151 1/20 0.51
LDHA P00338 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
PIK3CD O00329 1/20 0.50
PIK3R1 P27986 1/20 0.50
GAA P10253 1/20 0.50
ALPG P10696 1/20 0.50
S1PR2 O95136 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL8491252 0.83 HTT (0.74) HTTLMNAAPPEGFRMAPK1
SCHEMBL17803673 0.82 HTT (0.81) HTTLMNAAPPEGFRMAPK1
SCHEMBL8497438 0.81 APP (0.69) HTTLMNAAPPEGFRMAPK1
SCHEMBL8497590 0.81 APP (1.00) HTTLMNAAPPEGFRMAPK1
SCHEMBL8543033 0.79 CCNC (0.71) HTTLMNAAPPEGFRMAPK1
SCHEMBL8504270 0.78 HTT (0.68) HTTLMNAAPPEGFRMAPK1
SCHEMBL9609090 0.78 HTT (0.64) HTTLMNAAPPEGFRMAPK1
SCHEMBL9608072 0.77 HTT (0.49) HTTLMNAAPPEGFRMAPK1
SCHEMBL8497012 0.77 HTT (0.65) HTTLMNAAPPEGFRMAPK1
SCHEMBL17803677 0.76 HTT (0.74) HTTLMNAAPPEGFRMAPK1

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-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed