SCHEMBL22150294

SCHEMBL22150294

CNc1nc(SC)ncc1C=CC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.36
NTRK1 P04629 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
SYK P43405 1/20 0.34
HTT P42858 1/20 0.33
AHR P35869 1/20 0.33
IAPP P10997 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 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
SCHEMBL16120484 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1NTRK1NPC1
SCHEMBL4712409 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1NTRK1LMNA
SCHEMBL4714245 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10192488 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL16094770 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16120485 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1521592 0.78 LMNA (0.40) MEN1KMT2AALDH1A1NTRK1NPC1
SCHEMBL16094560 0.75 FBP1 (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24885934 0.75 RAB9A (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16370470 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1NTRK1NPC1

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-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 EP claimed