SCHEMBL24801995

SCHEMBL24801995

COC(=O)c1cc(F)c(Br)cc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.47
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NOTUM Q6P988 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
NR4A2 P43354 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL23526138 1.00 SOS1 (0.47) SOS1TSHRLMNANPSR1PKM
SCHEMBL31394743 0.93 SOS1 (0.51) SOS1TSHRLMNANPSR1PKM
SCHEMBL1044961 0.84 SOS1 (0.46) SOS1TSHRLMNANPSR1PKM
SCHEMBL365953 0.84 SOS1 (0.50) SOS1TSHRLMNANPSR1PKM
SCHEMBL31079873 0.84 SOS1 (0.50) SOS1TSHRLMNANPSR1PKM
SCHEMBL26732901 0.82 SOS1 (0.43) SOS1TSHRLMNANPSR1HTT
SCHEMBL24205641 0.82 SOS1 (0.43) SOS1TSHRLMNANPSR1HTT
SCHEMBL15795968 0.81 SOS1 (0.44) SOS1TSHRLMNANPSR1NOTUM
SCHEMBL31746616 0.81 SOS1 (0.44) SOS1TSHRLMNANPSR1NOTUM
SCHEMBL1044548 0.81 CA1 (0.49) SOS1TSHRLMNANPSR1HTT

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-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed