SCHEMBL31276009

SCHEMBL31276009

CN1CCN(Cc2ccc(NC(=O)N3CCNCC3)cc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.59
▸ SRC P12931 4/20 0.58
▸ ABL1 P00519 3/20 0.56
▸ BRAF P15056 6/20 0.55
▸ EGFR P00533 4/20 0.54
▸ NR1H2 P55055 1/20 0.52
▸ CDK1 P06493 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ FGFR4 P22455 1/20 0.51

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
SCHEMBL31053459 0.83 KIT (0.66) KITSRCABL1BRAFEGFR
SCHEMBL30904911 0.83 KIT (0.71) KITSRCABL1BRAFEGFR
SCHEMBL20912769 0.83 KIT (0.71) KITSRCABL1BRAFEGFR
SCHEMBL14704590 0.83 KIT (0.66) KITSRCABL1BRAFEGFR
SCHEMBL20227773 0.82 KIT (0.65) KITSRCABL1BRAFEGFR
SCHEMBL19986829 0.82 KIT (0.68) KITSRCABL1BRAFEGFR
SCHEMBL4933270 0.82 KIT (0.65) KITSRCABL1BRAFEGFR
SCHEMBL29614753 0.82 KIT (0.65) KITSRCABL1BRAFEGFR
SCHEMBL22477848 0.81 KIT (0.64) KITSRCABL1BRAFEGFR
SCHEMBL17208605 0.81 KIT (0.64) KITSRCABL1BRAFEGFR

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-113135896-B Methylpyrazole derivatives as RET inhibitors 正大天晴药业集团股份有限公司 2024-12-06 — — CN disclosed
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