SCHEMBL4464611

SCHEMBL4464611

COc1ccc(-c2cc(CC3(N)N=C(N)C=CN3)on2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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
SCHEMBL4460763 0.85 NOTUM (0.50) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL4456076 0.77 ALDH1A1 (0.38) TDP1ALDH1A1LMNAPOLBHPGD
SCHEMBL4464376 0.75 CA12 (0.38) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL2898452 0.72 NOTUM (0.64) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL29914348 0.71 KMT2A (0.39) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL29914341 0.71 KMT2A (0.41) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL14591949 0.71 SMN1; SMN2 (0.65) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL29914351 0.70 KMT2A (0.39) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL4466620 0.70 TAAR1 (0.43) KMT2A
SCHEMBL1221306 0.70 MAPT (0.66) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed