SCHEMBL20752084

SCHEMBL20752084

CNc1nc(Nc2ccc(OCC(C)O)c(C#N)c2)ncc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.47
▸ SYK P43405 8/20 0.45
▸ BCL6 P41182 2/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.41
▸ ITK Q08881 1/20 0.41

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
SCHEMBL20752248 0.91 LRRK2 (0.49) SYKLRRK2
SCHEMBL19527678 0.87 NPC1 (0.47) EGFRSYK
SCHEMBL18995066 0.80 EGFR (0.49) EGFRSYKBCL6NCOR2ITK
SCHEMBL15769550 0.79 EGFR (0.40) EGFRSYKBCL6
SCHEMBL20752236 0.79 SYK (0.54) SYKLRRK2
SCHEMBL15321097 0.77 EGFR (0.42) EGFRBCL6ITK
SCHEMBL15321098 0.77 EGFR (0.42) EGFRBCL6ITK
SCHEMBL19527785 0.77 NPC1 (0.47) EGFRSYKITK
SCHEMBL20752135 0.76 SYK (0.51) EGFRSYKLRRK2
SCHEMBL15769941 0.72 PRKCQ (0.41) SYKLRRK2

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-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 — — EP disclosed
Send feedback