SCHEMBL26994476

SCHEMBL26994476

Cc1c(Cc2ccnc([S+](C)[O-])c2F)cncc1Nc1ccc(Br)cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RET P07949 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ KIF5B P33176 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL26984845 0.84 MAPK1 (0.35) CLK1MAPK1TP53MAPTRET
SCHEMBL30746672 0.84 MAPK1 (0.35) CLK1MAPK1TP53MAPTRET
SCHEMBL26985184 0.82 CLK1 (0.34) CLK1MAPK1TP53MAPTRET
SCHEMBL30746457 0.82 CLK1 (0.34) CLK1MAPK1TP53MAPTRET
SCHEMBL26984886 0.82 KMT2A (0.34) CLK1MAPK1TP53MAPTRET
SCHEMBL30746469 0.82 KMT2A (0.34) CLK1MAPK1TP53MAPTRET
SCHEMBL26985095 0.80 RAF1 (0.42) CLK1MAPK1TP53MAPTRET
SCHEMBL30746420 0.80 RAF1 (0.42) CLK1MAPK1TP53MAPTRET
SCHEMBL30746542 0.79 HDAC3 (0.39) EGFRKDRGAA
SCHEMBL30746491 0.79 SLC22A12 (0.36) CLK1MAPK1RETEGFRKIF5B

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-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 — — WO disclosed
Send feedback