SCHEMBL28268366

SCHEMBL28268366

O=C(Nc1ccc[nH]1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HIF1A Q16665 1/20 0.61
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PIM1 P11309 1/20 0.56
PIM3 Q86V86 1/20 0.56
PIM2 Q9P1W9 1/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KCNK3 O14649 1/20 0.54
THRB P10828 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KCNMA1 Q12791 1/20 0.52

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
SCHEMBL2427655 0.81 JAK2 (0.50) HDAC1HDAC6RAB9ANPC1HDAC3
SCHEMBL11780084 0.78 LMNA (0.58) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL14958536 0.78 LMNA (0.62) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL28269947 0.78 LMNA (0.50) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL28459162 0.77 MCL1 (0.57) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL11591966 0.76 LMNA (0.69) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL1571386 0.76 LMNA (1.00) LMNAHIF1AROCK2ROCK1PIM1
SCHEMBL1134989 0.75 HDAC1 (0.69) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL19539240 0.75 HDAC1 (0.69) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL4535243 0.75 LMNA (0.58) LMNAHIF1AROCK2ROCK1HDAC1

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
CN-109942575-A Pyrrolopyridine as kinase inhibitor 阵列生物制药公司 2019-06-28 CN disclosed
CN-104926810-B Pyrrolopyridine as kinase inhibitor 阵列生物制药公司 2019-02-19 CN disclosed