SCHEMBL9196852

SCHEMBL9196852

COc1ccc(-c2nc3n(c2-c2cc(C)nc(C)c2)CCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
TGFBR1 P36897 4/20 0.60
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PKM P14618 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
WDR5 P61964 1/20 0.46
PDE10A Q9Y233 1/20 0.46
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL11477397 0.90 ATM (0.72) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL27309763 0.88 ATM (0.61) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL15452608 0.85 TGFBR1 (0.72) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL7381132 0.84 TGFBR1 (0.67) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL17767606 0.81 TGFBR1 (0.61) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL9436323 0.80 TGFBR1 (0.63) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL9701303 0.80 TGFBR1 (0.62) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL17767506 0.78 TGFBR1 (0.64) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL9700033 0.77 TGFBR1 (0.83) ATMNPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL11475818 0.76 WDR5 (0.56) ATMNPC1RAB9ASMN1; SMN2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306300-B1 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP claimed
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 CN claimed
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP claimed
EP-0306300-B1 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 CN disclosed
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP disclosed