SCHEMBL27799643

SCHEMBL27799643

COc1cc(I)cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL4723839 0.89 KMT2A (0.54) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL1689760 0.87 CA12 (0.43) ALDH1A1GAACA12CA1CA9
SCHEMBL28228415 0.84 ALDH1A1 (0.48) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL879946 0.83 KMT2A (0.45) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL31291935 0.82 KMT2A (0.44) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL1667284 0.82 KMT2A (0.44) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL90358 0.81 KDM4E (0.50) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL1667261 0.81 CASR (0.51) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL22032877 0.80 CA12 (0.39) KMT2ASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL3927562 0.80 LCK (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214482-A Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC 2013-07-24 CN disclosed
CN-101679423-A Imidazo [1, 2-a ] pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC 2010-03-24 CN disclosed
CN-101679422-A Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC 2010-03-24 CN disclosed