SCHEMBL22985880

SCHEMBL22985880

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2SC)c2nc[nH]c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.63
▸ INSR P06213 15/20 0.63
▸ IGF1R P08069 15/20 0.63
▸ EGFR P00533 3/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ NUAK1 O60285 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ STK10 O94804 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ SLC34A2 O95436 1/20 0.57
▸ CHEK2 O96017 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ CD74 P04233 1/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ FES P07332 1/20 0.57
▸ CSF1R P07333 1/20 0.57
▸ YES1 P07947 1/20 0.57

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
SCHEMBL22985929 0.90 TTK (0.57) ALKINSRIGF1RFESFLT3
SCHEMBL18018887 0.89 ALK (0.76) ALKINSRIGF1REGFRCHEK1
SCHEMBL4767413 0.84 TTK (0.66) ALKINSRIGF1RPTK2
SCHEMBL21099421 0.83 ALK (0.63) ALKINSRIGF1REGFRCHEK1
SCHEMBL22985902 0.83 TTK (0.54) ALKINSRIGF1RFESFGFR1
SCHEMBL24327559 0.83 ALK (0.60) ALKINSRIGF1REGFRCHEK1
SCHEMBL19921137 0.82 ALK (0.62) ALKINSRIGF1REGFRCHEK1
SCHEMBL3131543 0.81 TTK (0.64) ALKINSRIGF1RPTK2
SCHEMBL18018897 0.80 ALK (0.63) ALKINSRIGF1REGFRCHEK1
SCHEMBL22985895 0.79 ALK (0.45) ALKINSRIGF1REGFRAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
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