SCHEMBL7688448

SCHEMBL7688448

O=C1CCCN1CCCNc1ncc2nc(-c3ccccc3)c(=O)[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.51
▸ MKNK2 Q9HBH9 2/20 0.51
▸ ADORA1 P30542 1/20 0.49
▸ TYRO3 Q06418 11/20 0.47
▸ MALT1 Q9UDY8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ BTK Q06187 1/20 0.42

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
SCHEMBL7695534 0.86 ACP1 (0.45) MKNK1TYRO3MALT1ALDH1A1HSD17B10
SCHEMBL7694476 0.82 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7695066 0.82 MERTK (0.51) TYRO3KDM4EALDH1A1LMNAHPGD
SCHEMBL7688894 0.80 SLC2A1 (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7690773 0.79 HSD17B10 (0.43) KDM4EALDH1A1HPGDHSD17B10IRAK4
SCHEMBL7695125 0.78 KDM4E (0.51) MKNK1ADORA1KDM4ELMNAHSD17B10
SCHEMBL7696545 0.75 TSHR (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7696148 0.75 CACNA2D1 (0.46) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7695093 0.73 CYP1A2 (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5929386 0.70 MALT1 (0.64) ADORA1MALT1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002076954-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 — — WO disclosed
Send feedback