SCHEMBL1136409

SCHEMBL1136409

Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)Nc1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLK P51451 5/20 0.57
BTK Q06187 4/20 0.57
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
MMP2 P08253 4/20 0.51
MMP9 P14780 4/20 0.51
MMP8 P22894 4/20 0.51
MMP13 P45452 4/20 0.51
NR2E3 Q9Y5X4 2/20 0.49
HPSE Q9Y251 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
SYK P43405 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL1136378 0.96 MMP2 (0.53) BLKBTKKDM4EMAPTALDH1A1
SCHEMBL1136398 0.93 BTK (0.59) BLKBTKKDM4EMAPTALDH1A1
SCHEMBL1136390 0.89 NR2E3 (0.59) KDM4EMAPTLMNAMMP2MMP9
SCHEMBL1136423 0.87 CHEK2 (0.52) BLKBTKKDM4EMAPTALDH1A1
SCHEMBL1136389 0.87 DGAT1 (0.54) BLKBTKKDM4EMAPTHPGD
SCHEMBL1136406 0.85 BLK (0.48) BLKBTKKDM4EMAPTALDH1A1
SCHEMBL1136433 0.84 BTK (0.57) BLKBTKKDM4EMAPTALDH1A1
SCHEMBL1136434 0.84 BTK (0.57) BLKBTKKDM4EMAPTALDH1A1
SCHEMBL5306882 0.84 MMP2 (0.66) MAPTMMP2MMP9MMP8MMP13
SCHEMBL4487422 0.84 MMP2 (0.58) KDM4EMAPTALDH1A1MMP2MMP9

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-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP claimed
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed