SCHEMBL30611478

SCHEMBL30611478

c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.69
▸ FLT1 P17948 2/20 0.69
▸ MKNK1 Q9BUB5 8/20 0.62
▸ RET P07949 1/20 0.57
▸ ROCK2 O75116 3/20 0.56
▸ FADS1 O60427 1/20 0.54
▸ PIP4K2C Q8TBX8 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ CDC7 O00311 1/20 0.50

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
SCHEMBL13434860 1.00 EGFR (0.69) EGFRFLT1MKNK1RETROCK2
SCHEMBL22946710 0.90 EGFR (0.62) EGFRFLT1MKNK1RETROCK2
SCHEMBL3035598 0.82 ROCK2 (0.60) EGFRFLT1MKNK1RETROCK2
SCHEMBL5461595 0.81 EGFR (1.00) EGFRFLT1FADS1PIP4K2C
SCHEMBL30611453 0.81 MKNK1 (0.69) EGFRFLT1MKNK1RETROCK2
SCHEMBL4035154 0.79 MKNK1 (0.55) EGFRFLT1MKNK1RETROCK2
SCHEMBL13220437 0.78 ROCK2 (0.54) EGFRFLT1MKNK1ROCK2ROCK1
SCHEMBL13434870 0.78 MKNK1 (0.60) EGFRFLT1MKNK1RETCDC7
SCHEMBL2835747 0.78 EGFR (0.74) EGFRFLT1MKNK1RETROCK2
SCHEMBL29516907 0.78 EGFR (0.74) EGFRFLT1MKNK1RETROCK2

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
CN-111587112-B Rho-related inhibitors of coiled-coil-containing protein kinases 卡德门企业有限公司 2023-10-10 — — CN disclosed
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