SCHEMBL24938199

SCHEMBL24938199

C=C/C=C(\C=C/C)Nc1ncnc2cc(OCCOC)c(OCCOC)cc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.52
▸ KDR P35968 4/20 0.49
▸ GAK O14976 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KDM1A O60341 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ ILK Q13418 1/20 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
SCHEMBL24353219 0.90 EGFR (0.55) EGFRKDRGAKHDAC3HDAC1
SCHEMBL20614661 0.82 SRC (0.41) EGFRKDRGAK
SCHEMBL20614884 0.82 SRC (0.41) EGFRKDRGAKFLT1
SCHEMBL20673109 0.79 EGFR (0.49) EGFRKDRGAKKDM1AILK
SCHEMBL22338293 0.77 SRC (0.56) EGFRKDRHDAC3HDAC1HDAC6
SCHEMBL20673100 0.77 EGFR (0.46) EGFRKDRGAKKDM1AILK
SCHEMBL18387506 0.74 EGFR (0.46) EGFR
SCHEMBL28011751 0.71 EGFR (0.54) EGFRKDRGAKHDAC3HDAC1
SCHEMBL19121105 0.70 EGFR (0.42) EGFR
SCHEMBL27941737 0.69 EGFR (0.61) EGFRKDRGAKKDM1AFGFR1

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-4119552-A1 REGULATING CHIMERIC ANTIGEN RECEPTORS Dana-Farber Cancer Institute, Inc. (US) 2023-01-18 — — EP disclosed
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