SCHEMBL24467459

SCHEMBL24467459

CCONC(O)c1cc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.71
▸ RET P07949 6/20 0.71
▸ SRC P12931 14/20 0.59
▸ ABL1 P00519 13/20 0.59
▸ HCK P08631 10/20 0.59
▸ EGFR P00533 9/20 0.59
▸ PIK3CD O00329 7/20 0.59
▸ PIK3CA P42336 7/20 0.59
▸ PIK3CB P42338 7/20 0.59
▸ MTOR P42345 7/20 0.59
▸ PIK3CG P48736 7/20 0.59
▸ EPHB4 P54760 7/20 0.59
▸ PRKDC P78527 7/20 0.59
▸ LCK P06239 2/20 0.58
▸ EPHA3 P29320 2/20 0.58
▸ CSK P41240 2/20 0.58
▸ PI4KB Q9UBF8 2/20 0.55

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
SCHEMBL20534669 0.83 RET (1.00) KDRRETSRCABL1HCK
SCHEMBL24907281 0.80 KDR (0.73) KDRRETSRCABL1HCK
SCHEMBL24744024 0.78 RET (0.72) KDRRET
SCHEMBL29904440 0.77 KDR (0.81) KDRRETSRCABL1HCK
SCHEMBL20534730 0.77 KDR (0.81) KDRRETSRCABL1HCK
SCHEMBL25858099 0.76 RET (0.86) KDRRETSRCABL1HCK
SCHEMBL20535281 0.76 KDR (1.00) KDRRETSRCABL1HCK
SCHEMBL24467463 0.76 KDR (0.70) KDRRETSRCABL1HCK
SCHEMBL12435987 0.75 SRC (1.00) KDRSRCABL1HCKEGFR
SCHEMBL24467467 0.75 RET (0.70) KDRRET

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-3609898-B1 COMPOUNDS USEFUL AS RET INHIBITORS CANCER RESEARCH TECH LTD (GB) 2022-06-01 — — EP disclosed
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