SCHEMBL3628852

SCHEMBL3628852

O=C(O)N1CCN(CCc2cnc(Cl)cc2I)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
THRB P10828 3/20 0.36
HTR2A P28223 6/20 0.36
HTR2C P28335 4/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33

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
SCHEMBL596363 0.70 ALDH1A1 (0.36) MEN1KMT2AATMLMNA
SCHEMBL2729762 0.68 KCNJ1 (0.49) KCNH2
SCHEMBL1977079 0.66 KMT2A (0.77) MEN1KMT2AATMLMNA
SCHEMBL2548388 0.65 HTR2A (0.60) HTR2AHTR2CKCNH2
SCHEMBL27002802 0.65 KCNA5 (0.51) MEN1KMT2A
SCHEMBL16795428 0.64 KCNH2 (0.56) MEN1KMT2AKCNH2
SCHEMBL620035 0.64 GRIN2B (0.40)
SCHEMBL5482230 0.64 NOTUM (0.52) KMT2ASMN1; SMN2TP53
SCHEMBL1514830 0.64 HTR2A (0.58) MEN1KMT2AATMHTR2AHTR2C
SCHEMBL2927709 0.64 MEN1 (0.73) MEN1KMT2AKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed