SCHEMBL26985103

SCHEMBL26985103

Cc1c(CCc2ccnc(N)c2F)cncc1Nc1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 3/20 0.40
▸ KDR P35968 8/20 0.37
▸ FLT1 P17948 7/20 0.37
▸ FGFR1 P11362 3/20 0.37
▸ TRPM5 Q9NZQ8 1/20 0.35
▸ EGFR P00533 4/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ EPHB2 P29323 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ TGFBR1 P36897 2/20 0.33
▸ ERBB2 P04626 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL26984868 0.92 NUDT1 (0.42) NUDT1KDRFLT1FGFR1TRPM5
SCHEMBL30746708 0.84 NUDT1 (0.42) NUDT1KDRFLT1FGFR1TRPM5
SCHEMBL26985138 0.84 NUDT1 (0.42) NUDT1KDRFLT1FGFR1TRPM5
SCHEMBL26984929 0.83 NUDT1 (0.41) NUDT1KDRFLT1FGFR1TRPM5
SCHEMBL30746421 0.83 NUDT1 (0.41) NUDT1KDRFLT1FGFR1TRPM5
SCHEMBL30746407 0.82 KDR (0.41) NUDT1KDRFLT1FGFR1TRPM5
SCHEMBL26985004 0.82 KDR (0.41) NUDT1KDRFLT1FGFR1TRPM5
SCHEMBL30746604 0.81 DHFR (0.34) CSF1RDHFR
SCHEMBL30746454 0.81 KDM4E (0.35) NUDT1KDRFLT1CSF1RDHFR
SCHEMBL26985336 0.81 DHFR (0.34) CSF1RDHFR

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