SCHEMBL14214726

SCHEMBL14214726

Nc1ccccc1Nc1ncnc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 1/20 0.49
KCNH2 Q12809 1/20 0.48
SCN9A Q15858 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK8 P45983 1/20 0.47
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47
PAK4 O96013 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
GSK3B P49841 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL28037898 0.84 KCNH2 (0.54) KDM4ESMN1; SMN2RAB9AKCNH2SCN9A
SCHEMBL28051328 0.84 TRPV1 (0.58) KDM4ESMN1; SMN2RAB9AMAPK8CDC7
SCHEMBL29824523 0.82 MAPT (0.68) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL15875869 0.82 MAPT (0.68) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL13064959 0.80 KDM4E (0.69) KDM4EMAPTGAASMN1; SMN2RAB9A
SCHEMBL16748602 0.77 BMI1 (0.47) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL28051498 0.77 IDH2 (0.53) KDM4ESMN1; SMN2RAB9AKCNH2SCN9A
SCHEMBL28051330 0.77 ADORA3 (0.59) KDM4ESMN1; SMN2KCNH2SCN9ACDK2
SCHEMBL16747849 0.76 SCN5A (0.57) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL28104565 0.75 MAPT (0.54) KDM4EMAPTALDH1A1GAASMN1; SMN2

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-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed