SCHEMBL23010799

SCHEMBL23010799

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(N)c(C=N)c(Nc2ccccc2SC(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.49
▸ ALK Q9UM73 12/20 0.48
▸ IGF1R P08069 10/20 0.48
▸ INSR P06213 9/20 0.48
▸ MAP3K7 O43318 2/20 0.48
▸ JAK3 P52333 2/20 0.47
▸ BMPR1B O00238 2/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ GAK O14976 2/20 0.47
▸ ERN1 O75460 2/20 0.47
▸ STK10 O94804 2/20 0.47
▸ ABL1 P00519 2/20 0.47
▸ LCK P06239 2/20 0.47
▸ FYN P06241 2/20 0.47
▸ FES P07332 2/20 0.47
▸ YES1 P07947 2/20 0.47
▸ HCK P08631 2/20 0.47
▸ ROS1 P08922 2/20 0.47
▸ FER P16591 2/20 0.47
▸ EPHA2 P29317 2/20 0.47

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
SCHEMBL22985901 0.83 EGFR (0.41) EGFRALKIGF1RINSRTNK2
SCHEMBL19921199 0.81 ALK (0.49) EGFRALKIGF1RINSRMAP3K7
SCHEMBL22985878 0.81 FES (0.61) EGFRALKIGF1RINSRMAP3K7
SCHEMBL21183052 0.78 ALK (0.55) EGFRALKIGF1RINSRABL1
SCHEMBL26270561 0.77 ALK (0.73) EGFRALKIGF1RINSRMAP3K7
SCHEMBL18637132 0.77 ALK (0.81) EGFRALKIGF1RINSRMAP3K7
SCHEMBL21099658 0.77 ALK (0.60) EGFRALKIGF1RINSRMAP3K7
SCHEMBL19921194 0.76 ALK (0.59) EGFRALKIGF1RINSRMAP3K7
SCHEMBL22985890 0.76 FES (0.60) EGFRALKIGF1RINSRMAP3K7
SCHEMBL21099501 0.75 ALK (0.52) EGFRALKIGF1RINSRMAP3K7

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-3778605-A2 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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