SCHEMBL30723792

SCHEMBL30723792

Fc1n[nH]c2cccc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
LCK P06239 3/20 0.44
CSF1R P07333 3/20 0.44
FGFR1 P11362 3/20 0.44
ROCK1 Q13464 3/20 0.44
PRKACA P17612 2/20 0.44
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
CDK1 P06493 2/20 0.44
LYN P07948 2/20 0.44
RPS6KB1 P23443 2/20 0.44
CDK2 P24941 2/20 0.44
MARK3 P27448 2/20 0.44
BLK P51451 2/20 0.44
CSNK2A1 P68400 2/20 0.44
MARK2 Q7KZI7 2/20 0.44
AURKB Q96GD4 2/20 0.44
SGK2 Q9HBY8 2/20 0.44
JAK2 O60674 1/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL20089759 1.00 KDR (0.44) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL28919844 0.79 PDPK1 (0.46) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL24455090 0.76 MAPK1 (0.51) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL10076075 0.76 KDR (0.47) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL16724833 0.76 PDPK1 (0.47) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL6830412 0.76 PDPK1 (0.43) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL30566149 0.76 PDPK1 (0.61) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL23604563 0.76 PDPK1 (0.52) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL760018 0.76 PDPK1 (0.61) KDRLCKCSF1RFGFR1ROCK1
SCHEMBL15265673 0.76 HTR1A (0.37) KDRLCKCSF1RFGFR1ROCK1

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-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed