SCHEMBL20461981

SCHEMBL20461981

CN1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5)cc4s3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.47
LCK P06239 5/20 0.46
PCSK9 Q8NBP7 1/20 0.44
KDR P35968 5/20 0.43
ITK Q08881 3/20 0.42
TBK1 Q9UHD2 5/20 0.42
OTUD7B Q6GQQ9 1/20 0.41

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
SCHEMBL6125675 0.92 KDR (0.52) USP30LCKPCSK9KDRITK
SCHEMBL29470482 0.92 KDR (0.52) USP30LCKPCSK9KDRITK
SCHEMBL29470541 0.92 KDR (0.49) USP30LCKPCSK9KDRITK
SCHEMBL6125718 0.92 KDR (0.49) USP30LCKPCSK9KDRITK
SCHEMBL8739542 0.92 LCK (0.45) USP30LCKPCSK9KDRITK
SCHEMBL8739127 0.91 KDR (0.51) USP30LCKPCSK9KDRITK
SCHEMBL15673350 0.89 KDR (0.57) USP30LCKKDRITKTBK1
SCHEMBL20055933 0.89 KDR (0.47) USP30LCKKDRTBK1
SCHEMBL29470441 0.89 KDR (0.57) LCKKDRTBK1
SCHEMBL15673237 0.89 KDR (0.57) LCKKDRTBK1

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
EP-3357915-A1 HETEROCYCLE AMINES WITH ANTI-INFLAMMATORY ACTIVITY Ligand Pharmaceuticals Inc. (US) 2018-08-08 EP disclosed