SCHEMBL28522128

SCHEMBL28522128

CNC(=O)Nc1ccc(I)cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 9/20 0.44
MAPT P10636 2/20 0.44
PTK2 Q05397 1/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
GCK P35557 3/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HCAR3 P49019 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL20639917 0.82 L3MBTL1 (0.49) L3MBTL1RAB9AMAPTPTK2NPC1
SCHEMBL761089 0.81 PTK2 (0.62) L3MBTL1RAB9AMAPTPTK2NPC1
SCHEMBL2916487 0.81 NPC1 (0.50) RAB9ANPC1
Methane SCHEMBL29283547 0.80 PTK2 (0.61) L3MBTL1RAB9AMAPTPTK2NPC1
SCHEMBL15871706 0.80 RAB9A (0.70) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4160236 0.79 RAB9A (0.48) L3MBTL1RAB9AMAPTPTK2NPC1
SCHEMBL26274441 0.79 RAB9A (0.56) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL16166784 0.79 RAB9A (0.61) RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28513546 0.78 RAB9A (0.62) L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL6625494 0.78 RAB9A (0.43) L3MBTL1RAB9AMAPTPTK2NPC1

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
CN-112341378-A Urea substituted alkynyl pyrimidine or urea substituted alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2021-02-09 CN disclosed