SCHEMBL28178103

SCHEMBL28178103

Brc1cccc(-c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
METAP2 P50579 1/20 0.46
QPCT Q16769 2/20 0.45
QPCTL Q9NXS2 2/20 0.45
FBP1 P09467 1/20 0.45
EPHB2 P29323 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
BIRC5 O15392 1/20 0.44
EGFR P00533 3/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
AKT1 P31749 1/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 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
SCHEMBL28178104 0.87 QPCT (0.60) IDO1METAP2QPCTQPCTLFBP1
SCHEMBL28076068 0.86 QPCT (0.41) IDO1QPCTQPCTLFBP1EPHB2
SCHEMBL31143361 0.84 MAPT (0.50) QPCTQPCTLRAB9ANPC1ALDH1A1
SCHEMBL6008269 0.84 MAPT (0.50) QPCTQPCTLRAB9ANPC1ALDH1A1
SCHEMBL22418755 0.83 QPCT (0.47) QPCTQPCTLRAB9ANPC1ALDH1A1
SCHEMBL2457365 0.82 QPCT (0.50) QPCTQPCTLMKNK1RAB9ANPC1
SCHEMBL13373333 0.80 MAPK14 (0.47) IDO1METAP2QPCTQPCTL
SCHEMBL29908911 0.80 CHEK1 (0.52) METAP2QPCTFBP1EPHB2MKNK1
SCHEMBL10757 0.80 CHEK1 (0.52) METAP2QPCTFBP1EPHB2MKNK1
SCHEMBL28190280 0.79 QPCT (0.47) QPCTQPCTLMKNK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440531-B 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2021-11-02 CN disclosed
CN-108299439-B 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2021-02-09 CN disclosed
CN-107312008-B A kind of catalysis prepares the catalyst and system and method for benzimidazole simultaneously [2,1-b] quinoline -6- ketone derivatives 马鞍山市泰博化工科技有限公司 2019-08-27 CN disclosed
CN-108191870-A For benzimidazole simultaneously [1,2-A] benzimidizole derivatives of electronic application UDC 爱尔兰有限责任公司 2018-06-22 CN disclosed
CN-104395316-B Benzimidazo [1,2-A ] benzimidazole derivatives for electronic applications UDC 爱尔兰有限责任公司 2018-01-19 CN disclosed
CN-107353289-A Benzimidazole for electronic application simultaneously [1,2 A] benzimidizole derivatives UDC 爱尔兰有限责任公司 2017-11-17 CN disclosed
CN-107312008-A A kind of easy catalysis prepares the catalyst and system and method for benzimidazole simultaneously ketone derivatives of [2,1 b] quinoline 6 马鞍山市泰博化工科技有限公司 2017-11-03 CN disclosed