SCHEMBL2854538

SCHEMBL2854538

Cn1nc(C2CC2)cc1NC(=O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
GRM5 P41594 1/20 0.51
KCNJ6 P48051 3/20 0.50
KCNJ3 P48549 3/20 0.50
ADCY1 Q08828 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KCNJ5 P48544 2/20 0.47
MAPT P10636 1/20 0.47
KDM1A O60341 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 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
SCHEMBL2852141 0.86 JAK2 (0.56) JAK2JAK1GRM5KCNJ6KCNJ3
SCHEMBL2854953 0.82 SMN1; SMN2 (0.50) KDM4EJAK2JAK1SMN1; SMN2MEN1
SCHEMBL14107734 0.81 PIK3CD (0.53) JAK2JAK1ADCY1KDM1APIK3CD
SCHEMBL28889677 0.78 KDM4E (0.55) KDM4EGRM5SMN1; SMN2MEN1KMT2A
SCHEMBL30153356 0.78 KDM4E (0.55) KDM4EGRM5ADCY1SMN1; SMN2MEN1
SCHEMBL28401280 0.78 KDM4E (0.55) KDM4EGRM5ADCY1SMN1; SMN2MEN1
SCHEMBL4640994 0.77 LCK (0.52) JAK2JAK1GRM5KDM1APIK3CD
SCHEMBL2850356 0.76 GRM5 (0.60) KDM4EGRM5SMN1; SMN2MEN1KMT2A
SCHEMBL31703858 0.76 JAK2 (0.47) JAK2JAK1PIK3CD
SCHEMBL30881746 0.75 HTR1A (0.48) KDM4EGRM5ADCY1SMN1; SMN2MEN1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed