SCHEMBL22886741

SCHEMBL22886741

Cc1cc(-c2ccc(I)cn2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.44
NFATC1 O95644 1/20 0.44
MAP4K4 O95819 1/20 0.43
WNT3A P56704 12/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
UHRF1 Q96T88 1/20 0.41
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL3423338 0.81 CCR1 (0.56) DYRK1ANFATC1MAP4K4WNT3APSEN1
SCHEMBL1492636 0.79 MAP4K4 (0.50) DYRK1ANFATC1MAP4K4WNT3APSEN1
SCHEMBL18015428 0.79 MAP4K4 (0.43) DYRK1ANFATC1MAP4K4WNT3APSEN1
SCHEMBL27861147 0.76 WNT3A (0.52) MAP4K4WNT3APSEN1PSEN2APH1B
SCHEMBL25308859 0.75 KDM4E (0.46) MAP4K4WNT3APSEN1PSEN2APH1B
SCHEMBL1912416 0.75 WNT3A (0.51) MAP4K4WNT3APSEN1PSEN2APH1B
SCHEMBL17051593 0.75 CYP3A4 (0.54) DYRK1AWNT3AUHRF1
SCHEMBL23474083 0.74 HPGDS (0.41)
SCHEMBL22885537 0.74 WNT3A (0.43) DYRK1ANFATC1WNT3AUHRF1
SCHEMBL1896511 0.73 DYRK1A (0.65) DYRK1ANFATC1MAP4K4WNT3APSEN1

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
WO-2021004467-A1 COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF 南京明德新药研发有限公司 2021-01-14 WO disclosed