SCHEMBL10805916

SCHEMBL10805916

Cc1cc(NC2CCCCC2)c2[nH]ncc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CDK1 P06493 3/20 0.41
▸ CDK4 P11802 3/20 0.41
▸ CCNB1 P14635 3/20 0.41
▸ CCNA2 P20248 3/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CCNA1 P78396 3/20 0.41
▸ GAA P10253 1/20 0.38

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
SCHEMBL9069463 0.82 KDM4E (0.47) SLC2A1LRRK2KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL9073160 0.81 KDM4E (0.46) SLC2A1LRRK2KDM4EALDH1A1MEN1
SCHEMBL9070477 0.81 KDM4E (0.45) SLC2A1LRRK2KDM4EALDH1A1MEN1
SCHEMBL3003705 0.77 KDM4E (0.46) LRRK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL18879034 0.76 SLC2A1 (0.56) SLC2A1KDM4EMAPTHTT
SCHEMBL9069462 0.75 KDM4E (0.40) SLC2A1LRRK2KDM4EALDH1A1MEN1
SCHEMBL10803018 0.72 SLC2A1 (0.52) SLC2A1KDM4EALDH1A1KMT2AMAPT
SCHEMBL10817816 0.72 SLC2A1 (0.59) SLC2A1MAPTHTT
Hydrochloric Acid SCHEMBL11846718 0.69 IP6K1 (0.44) LRRK2ALDH1A1HSD17B10ADORA2AADORA1
SCHEMBL10805234 0.69 SLC2A1 (0.74) SLC2A1KDM4EMEN1KMT2ATDP1

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
EP-0119774-B1 ANTI-INFLAMMATORY PYRAZOLO PYRIDINES BEECHAM GROUP PLC (GB) 1987-06-24 — — EP claimed
US-4559348-A SKIN DISORDERS BEECHAM GROUP, P.L.C. (GB) 1985-12-17 — — US claimed
EP-0119774-A1 Anti-inflammatory pyrazolo pyridines BEECHAM GROUP PLC (GB) 1984-09-26 — — EP claimed
EP-0119774-B1 ANTI-INFLAMMATORY PYRAZOLO PYRIDINES BEECHAM GROUP PLC (GB) 1987-06-24 — — EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
US-4559348-A SKIN DISORDERS BEECHAM GROUP, P.L.C. (GB) 1985-12-17 — — US disclosed
EP-0119774-A1 Anti-inflammatory pyrazolo pyridines BEECHAM GROUP PLC (GB) 1984-09-26 — — EP disclosed
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