SCHEMBL21704230

SCHEMBL21704230

Nc1ccc(NCc2ccc3c(c2)CCO3)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PDE2A O00408 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
DYRK1A Q13627 2/20 0.40
MAPT P10636 2/20 0.40
GSK3B P49841 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL20731189 0.86 CLK4 (0.44) DYRK1AMAPTHDAC3HDAC1HDAC2
SCHEMBL23938083 0.85 RAB9A (0.46) AURKARPS6KB1RAB9ANPC1POLB
SCHEMBL20731188 0.85 PDE2A (0.47) AURKARPS6KB1RAB9ANPC1POLB
SCHEMBL23938082 0.80 CXCR4 (0.56) AURKARPS6KB1RAB9ANPC1POLB
SCHEMBL3320228 0.75 AURKA (0.49) AURKARPS6KB1RAB9ANPC1POLB
SCHEMBL5648300 0.74 CLK4 (0.47) RAB9ANPC1DYRK1AMAPT
SCHEMBL17741867 0.73 PDE2A (0.48) AURKARPS6KB1RAB9ANPC1POLB
SCHEMBL18539279 0.73 RAB9A (0.53) AURKARPS6KB1RAB9ANPC1POLB
SCHEMBL24730682 0.71 VNN1 (0.53) RAB9ANPC1POLBHDAC3HDAC1
SCHEMBL5164069 0.71 AURKA (0.43) AURKARPS6KB1RAB9ANPC1POLB

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-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed