SCHEMBL2469042

SCHEMBL2469042

N#Cc1cc(Br)ccc1Nc1ccc(C(=O)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
GPR183 P32249 1/20 0.42
NAMPT P43490 1/20 0.41
TYK2 P29597 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
POLB P06746 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 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
SCHEMBL110327 0.90 POLB (0.52) L3MBTL1TDP1HPGDNAMPTPOLB
SCHEMBL142450 0.88 TYK2 (0.50) HPGDTYK2ALDH1A1TP53LMNA
SCHEMBL110337 0.84 KMT2A (0.47) L3MBTL1TDP1POLBLMNAKMT2A
SCHEMBL144185 0.77 JAK2 (0.44) HPGDTYK2POLB
SCHEMBL1858031 0.76 KRAS (0.39) L3MBTL1HPGDALDH1A1TP53POLB
SCHEMBL28067455 0.74 HPGD (0.72) L3MBTL1HPGDGPR183ALDH1A1TP53
SCHEMBL143140 0.72 HPGD (0.52) HPGDALDH1A1CA1CA2KMT2A
SCHEMBL13284275 0.72 POLB (0.55) HPGDALDH1A1POLBCA12CA1
SCHEMBL141845 0.72 TYK2 (0.48) HPGDTYK2ALDH1A1
SCHEMBL4197251 0.71 PIK3CD (0.38) TDP1ALDH1A1POLBKMT2A

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
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed