SCHEMBL30117560

SCHEMBL30117560

Nc1noc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ TGFBR1 P36897 1/20 0.44
▸ KIT P10721 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ KMO O15229 1/20 0.42
▸ EPHB4 P54760 2/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ MET P08581 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ F10 P00742 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL15638471 1.00 SCN9A (0.47) SCN9ACYP2C9TGFBR1KITKDR
SCHEMBL30117485 0.91 KIT (0.42) SCN9ACYP2C9TGFBR1KITKDR
SCHEMBL15638599 0.91 KIT (0.42) SCN9ACYP2C9TGFBR1KITKDR
SCHEMBL15638882 0.87 TGFBR1 (0.48) SCN9ACYP2C9TGFBR1KITKDR
SCHEMBL15638204 0.86 MAP4K4 (0.44) SCN9ACYP2C9TGFBR1KITKDR
SCHEMBL15638191 0.81 TGFBR1 (0.66) TGFBR1
SCHEMBL15638166 0.80 EPHB4 (0.48) TGFBR1KMOEPHB4FEN1PTGS1
SCHEMBL15639843 0.79 JAK2 (0.58) TGFBR1FLT3KMOEPHB4FEN1
SCHEMBL15638535 0.78 TGFBR1 (0.44) SCN9ACYP2C9TGFBR1KITKDR
SCHEMBL30117552 0.77 MAP4K4 (0.44) SCN9ACYP2C9TGFBR1KITKDR

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
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP claimed
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