SCHEMBL22985901

SCHEMBL22985901

COc1cc(C2CCCN(C)C2)ccc1Nc1nc(N)c(C=N)c(Nc2ccccc2SC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ IGF1R P08069 3/20 0.40
▸ ZAP70 P43403 1/20 0.40
▸ ALK Q9UM73 5/20 0.39
▸ INSR P06213 2/20 0.39
▸ MAPK7 Q13164 1/20 0.36

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
SCHEMBL22985906 0.84 ALK (0.46) EGFRIGF1RALKINSR
SCHEMBL23010799 0.83 EGFR (0.49) EGFRTNK2IGF1RZAP70ALK
SCHEMBL22985876 0.82 FES (0.49) EGFRTNK2IGF1RZAP70ALK
SCHEMBL21183052 0.76 ALK (0.55) EGFRIGF1RALKINSR
SCHEMBL3954476 0.76 ALK (0.57) EGFRTNK2IGF1RZAP70ALK
SCHEMBL18018797 0.70 ALK (0.56) EGFRTNK2IGF1RZAP70ALK
SCHEMBL4056958 0.69 FES (0.68) EGFRTNK2IGF1RZAP70ALK
SCHEMBL12429275 0.68 IGF1R (0.71) IGF1R
SCHEMBL12429336 0.67 PTK2 (0.65) IGF1R
SCHEMBL12245802 0.67 ALK (0.63) EGFRIGF1RALKINSR

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