SCHEMBL9700033

SCHEMBL9700033

COc1ccc(-c2nc3n(c2-c2ccccn2)CCC3)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.83
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
THRB P10828 1/20 0.54
WDR5 P61964 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSP90AA1 P07900 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL7786549 0.91 TGFBR1 (1.00) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL15452608 0.84 TGFBR1 (0.72) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL11477397 0.84 ATM (0.72) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL7381132 0.81 TGFBR1 (0.67) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL17767506 0.80 TGFBR1 (0.64) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9701303 0.79 TGFBR1 (0.62) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL27309763 0.78 ATM (0.61) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL17767606 0.78 TGFBR1 (0.61) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9196852 0.77 ATM (0.67) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9436323 0.77 TGFBR1 (0.63) 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 4 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
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