SCHEMBL21812757

SCHEMBL21812757

CN1CCC(n2cc(-c3csc(CNC(=O)C4(CC(=O)O)Cc5ccccc5C4)n3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.39
▸ DYRK1A Q13627 7/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ WNT1 P04628 3/20 0.38
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL21812572 0.94 EGFR (0.35) EGFRDYRK1AGSK3BWNT1AXL
SCHEMBL21812564 0.91 TNKS (0.35) EGFRDYRK1AGSK3BWNT1KDR
SCHEMBL21812994 0.90 KDR (0.46) EGFRKDR
SCHEMBL21812593 0.87 NAMPT (0.36) DYRK1AGSK3BWNT1
SCHEMBL21813041 0.83 PAICS (0.40) —
SCHEMBL21834612 0.82 SMN1; SMN2 (0.45) EGFRDYRK1AGSK3BWNT1CLK2
SCHEMBL21812598 0.82 ACACB (0.39) —
SCHEMBL21812764 0.81 NPC1 (0.45) DYRK1AGSK3B
SCHEMBL21812686 0.81 MAPK1 (0.43) —
SCHEMBL21813017 0.80 CHEK1 (0.40) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 — — WO claimed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 — — EP claimed
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 — — WO disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 — — EP disclosed
Send feedback