SCHEMBL22739290

SCHEMBL22739290

C=C(/C=C\C=C(/C)c1nncn1CC(F)(F)F)NC(=O)c1cc(-c2cccnc2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.33
▸ DYRK1A Q13627 4/20 0.33
▸ WNT1 P04628 2/20 0.33
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ PORCN Q9H237 1/20 0.31
▸ CALCRL Q16602 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ WNT3A P56704 1/20 0.31

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
SCHEMBL944432 0.72 FGFR3 (0.46) DYRK1AWNT1FGFR3KDRABL1
SCHEMBL23720730 0.71 MAP3K5 (0.36) —
SCHEMBL23721197 0.70 CBLB (0.31) —
SCHEMBL23721171 0.67 NAMPT (0.34) DYRK1AWNT1PORCNGSK3B
SCHEMBL944293 0.66 LOXL2 (0.57) DYRK1AWNT1FGFR3KDRABL1
SCHEMBL22739074 0.66 MAP3K5 (0.43) —
SCHEMBL934340 0.65 ABL1 (0.46) EGFRDYRK1AWNT1KDRABL1
SCHEMBL945363 0.63 MKNK1 (0.61) PORCNWNT3A
SCHEMBL30297902 0.63 KMO (0.49) PORCNWNT3A
SCHEMBL946826 0.62 MKNK1 (0.50) DYRK1AABL1PORCNWNT3A

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-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 — — EP disclosed
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