SCHEMBL9701303

SCHEMBL9701303

COc1ccc(-c2nc3n(c2-c2cccnc2)CCC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.62
ATM Q13315 1/20 0.59
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 2/20 0.46
CYP17A1 P05093 2/20 0.46
CYP19A1 P11511 2/20 0.46
PDE10A Q9Y233 2/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL15452608 0.87 TGFBR1 (0.72) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL11477397 0.86 ATM (0.72) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL7381132 0.85 TGFBR1 (0.67) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9436323 0.82 TGFBR1 (0.63) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL17767506 0.80 TGFBR1 (0.64) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9196852 0.80 ATM (0.67) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9700033 0.79 TGFBR1 (0.83) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL17767606 0.78 TGFBR1 (0.61) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL27309763 0.78 ATM (0.61) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL7786549 0.77 TGFBR1 (1.00) TGFBR1ATMNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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