SCHEMBL3425920

SCHEMBL3425920

CCc1c(C(N)=O)cccc1-c1ccc2cc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
BTK Q06187 1/20 0.52
PI4K2A Q9BTU6 2/20 0.48
MPO P05164 2/20 0.43
PDPK1 O15530 1/20 0.43
CREBBP Q92793 1/20 0.42
RIPK2 O43353 1/20 0.42
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
CDK19 Q9BWU1 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
AR P10275 1/20 0.40
IKBKB O14920 2/20 0.39
PARP1 P09874 1/20 0.39
MAOA P21397 2/20 0.38
CHUK O15111 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
SCHEMBL30369932 0.83 LCK (0.56) LCKBTKPI4K2AMPOPDPK1
SCHEMBL27682000 0.83 LCK (0.56) LCKBTKPI4K2AMPOPDPK1
SCHEMBL28136345 0.83 LCK (0.56) LCKBTKPI4K2AMPOPDPK1
SCHEMBL3425916 0.81 LCK (0.45) LCKBTKPI4K2AMPOPDPK1
SCHEMBL11890140 0.76 TRPA1 (0.60) LCKBTKRIPK2JAK2AR
SCHEMBL17500266 0.74 KDM4E (0.48) LCKBTKPI4K2AMPOCREBBP
SCHEMBL4439618 0.74 BCAT2 (0.62) IKBKBPARP1
SCHEMBL29479384 0.73 KDM4E (0.53) LCKBTKPI4K2AMPOCREBBP
SCHEMBL16720498 0.73 KDM4E (0.53) LCKBTKPI4K2AMPOCREBBP
SCHEMBL28555354 0.73 KDM4E (0.49) LCKBTKPI4K2AMPOCREBBP

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-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed