SCHEMBL23048639

SCHEMBL23048639

CN1CCC(Sc2cc(C=C3CC3)ccn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 4/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ HRH4 Q9H3N8 2/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HCRTR2 O43614 4/20 0.32
▸ LRRK2 Q5S007 1/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ KDM2B Q8NHM5 1/20 0.30

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
SCHEMBL23048583 0.84 WNT1 (0.41) WNT1GSK3BDYRK1AHRH4HCRTR2
SCHEMBL19546938 0.84 WNT1 (0.39) WNT1GSK3BDYRK1AHRH4HCRTR2
SCHEMBL23916367 0.74 HRH4 (0.36) DYRK1AHRH4KDM2B
SCHEMBL23048678 0.73 POLB (0.40) WNT1GSK3BDYRK1A
SCHEMBL20951081 0.72 KDM2B (0.54) WNT1GSK3BDYRK1ADDB1CRBN
SCHEMBL8302529 0.71 EHMT2 (0.42) WNT1GSK3BDYRK1AHCRTR2DDB1
SCHEMBL23048665 0.71 HRH4 (0.52) HRH4HTR3A
SCHEMBL20951194 0.68 WNT1 (0.49) WNT1GSK3BDYRK1AHCRTR2DDB1
SCHEMBL8302411 0.66 TLR9 (0.37) WNT1GSK3BDYRK1AHRH4LRRK2
SCHEMBL23048624 0.63 DYRK1A (0.39) WNT1DYRK1AHRH4LRRK2

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-3448386-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED LLC (US) 2021-03-03 — — EP disclosed
Send feedback