SCHEMBL1923896

SCHEMBL1923896

Cc1ccc(N(Cc2ccnc(F)c2)c2nc(N)nc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 8/20 0.81
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
JAK2 O60674 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37

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
Hydrochloric Acid SCHEMBL540872 0.99 KCNH3 (0.82) KCNH3RAB9ANPC1JAK2SMN1; SMN2
SCHEMBL540938 0.90 KCNH3 (0.91) KCNH3RAB9ANPC1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL540609 0.90 KCNH3 (0.82) KCNH3SMN1; SMN2FFAR1KDM4E
Hydrochloric Acid SCHEMBL1281689 0.89 KCNH3 (1.00) KCNH3RAB9ANPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL540943 0.84 KCNH3 (0.73) KCNH3RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1924291 0.83 KCNH3 (0.84) KCNH3RAB9ANPC1HTTMEN1
SCHEMBL5017701 0.76 KCNH3 (0.62) KCNH3RAB9ANPC1SMN1; SMN2HTT
SCHEMBL1924293 0.74 KCNH3 (0.98) KCNH3
Hydrochloric Acid SCHEMBL3410329 0.74 KCNH3 (1.00) KCNH3
SCHEMBL8612276 0.70 RAB9A (0.55) RAB9ANPC1JAK2SMN1; SMN2HTT

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-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP claimed