SCHEMBL23765008

SCHEMBL23765008

Clc1cccc2c1sc1cccc(-c3ccc(-c4ccc(Br)cc4)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
MARK3 P27448 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
KDR P35968 1/20 0.35
BLK P51451 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ROCK1 Q13464 1/20 0.35
MARK2 Q7KZI7 1/20 0.35

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
SCHEMBL25569776 0.88 LIMK1 (0.46) LIMK1ALOX5MAPK1LMNAMCL1
SCHEMBL25893403 0.87 ALOX5 (0.41) PLK4AURKAJAK2LCKCDK1
SCHEMBL24969647 0.84 LIMK1 (0.48) PLK4AKT3LIMK1ALOX5MAPK1
SCHEMBL25567463 0.82 CA12 (0.42) LIMK1ALOX5ALDH1A1MCL1CYP2A6
SCHEMBL22892795 0.81 ALOX5 (0.38) PLK4AURKAJAK2LCKCDK1
SCHEMBL20232213 0.80 GPR3 (0.43) PLK4AURKAJAK2LCKCDK1
SCHEMBL29778189 0.80 GPR3 (0.43) PLK4AURKAJAK2LCKCDK1
SCHEMBL25893436 0.79 PTPN1 (0.37) ALOX5MAPK1ALDH1A1LMNAMAPT
SCHEMBL22688446 0.78 CYP1A1 (0.40) PLK4AURKAJAK2LCKCDK1
SCHEMBL25893684 0.78 LIMK1 (0.36) LIMK1ALOX5MAPK1ALDH1A1CYP1A2

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-2021162384-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-19 WO disclosed