SCHEMBL8874313

SCHEMBL8874313

CCCCC(=O)Nc1c(NCc2ccc(-c3ccccc3C#N)cc2)ncc(Br)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.47
TSHR P16473 3/20 0.44
LTB4R2 Q9NPC1 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MYC P01106 1/20 0.39

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
SCHEMBL8872064 0.95 BDKRB1 (0.47) BDKRB1TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL8872963 0.90 BDKRB1 (0.47) BDKRB1TSHRLTB4R2CYP1A2CYP3A4
SCHEMBL8873236 0.87 BDKRB1 (0.45) BDKRB1TSHRLTB4R2CYP1A2CYP3A4
SCHEMBL8872992 0.84 BDKRB1 (0.67) BDKRB1LTB4R2ACHEAGTR1
SCHEMBL8872882 0.84 BDKRB1 (0.47) BDKRB1TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL8872417 0.84 BDKRB1 (0.45) BDKRB1TSHRLTB4R2CYP1A2CYP3A4
SCHEMBL8872377 0.83 ABL1 (0.49) BDKRB1TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL8873190 0.82 BDKRB1 (0.45) BDKRB1TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL8871542 0.79 BDKRB1 (0.66) BDKRB1LTB4R2
SCHEMBL8873927 0.78 BDKRB1 (0.45) BDKRB1TSHRCYP1A2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700938-A Intermediates for imidazopyridine derivatives EISAI CO., LTD. (JP) 1997-12-23 US disclosed
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5608068-A Process for the preparation of imidazopyridine derivatives and intermediates EISAI CO., LTD. (JP) 1997-03-04 US disclosed
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5583229-A Process for the preparation of imidazopyridine derivatives EISAI CO., LTD. (JP) 1996-12-10 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5557002-A Process for the preparation of biphenyl containing intermediates useful in making angiotensin II receptor antagonists EISAI CO., LTD. (JP) 1996-09-17 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0627433-A1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE Eisai Co., Ltd. (JP) 1994-12-07 EP disclosed