SCHEMBL27111133

SCHEMBL27111133

C=NC(=N)Nc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
IDO1 P14902 1/20 0.50
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MTOR P42345 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL3443268 0.81 IDO1 (0.58) MEN1KMT2AIDO1RAB9ATSHR
SCHEMBL173527 0.80 MEN1 (0.60) MEN1KMT2AIDO1RAB9ATSHR
SCHEMBL30753398 0.80 MEN1 (0.60) MEN1KMT2AIDO1RAB9ATSHR
SCHEMBL20229012 0.80 DDX3X (0.55) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL20057659 0.78 TAS2R38 (0.44) MEN1KMT2AIDO1RAB9ATSHR
SCHEMBL27110819 0.77 MAPT (0.57) MEN1KMT2AIDO1RAB9AGAA
SCHEMBL7873172 0.77 MEN1 (0.56) MEN1KMT2AIDO1RAB9ATSHR
SCHEMBL28014773 0.76 MEN1 (0.55) MEN1KMT2AIDO1RAB9ATSHR
SCHEMBL8867312 0.74 IDO1 (0.64) MEN1KMT2AIDO1RAB9ATSHR
SCHEMBL6455079 0.73 MEN1 (0.67) MEN1KMT2AIDO1RAB9ATSHR

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
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed