SCHEMBL19527760

SCHEMBL19527760

COCCOCCOc1ccc(Nc2ncc(F)c(N)n2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SYK P43405 1/20 0.45
▸ BTK Q06187 4/20 0.45
▸ ITK Q08881 1/20 0.44
▸ MAPT P10636 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
SCHEMBL19527814 0.97 EGFR (0.51) EGFRNPC1RAB9ASYKBTK
SCHEMBL19527732 0.85 NPC1 (0.49) EGFRNPC1RAB9ASYKMAPT
SCHEMBL19527678 0.81 NPC1 (0.47) EGFRNPC1RAB9ASYKMAPT
SCHEMBL19527628 0.78 NPC1 (0.47) EGFRNPC1RAB9ASYKITK
SCHEMBL19527785 0.78 NPC1 (0.47) EGFRNPC1RAB9ASYKITK
SCHEMBL18995094 0.78 EGFR (0.45) EGFRSYKBTKITK
SCHEMBL22909438 0.76 SYK (0.56) EGFRSYKBTKITK
SCHEMBL29729055 0.76 SYK (0.56) EGFRSYKBTKITK
SCHEMBL19527651 0.75 NPC1 (0.47) EGFRNPC1RAB9ASYKITK
SCHEMBL18995121 0.74 NPC1 (0.47) NPC1RAB9AMAPT

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-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP disclosed
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