SCHEMBL30987917

SCHEMBL30987917

Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 14/20 1.00
CSF1R P07333 1/20 0.67
ABL1 P00519 5/20 0.67

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
SCHEMBL16640183 0.97 ROR1 (0.94) ROR1CSF1RABL1
SCHEMBL30987894 0.89 ROR1 (0.81) ROR1CSF1RABL1
SCHEMBL30987915 0.86 ROR1 (0.75) ROR1CSF1RABL1
SCHEMBL19317721 0.84 ROR1 (0.79) ROR1CSF1RABL1
SCHEMBL16644466 0.84 CSF1R (0.75) ROR1CSF1RABL1
SCHEMBL30987865 0.83 ROR1 (0.86) ROR1CSF1RABL1
SCHEMBL16250614 0.82 ABL1 (0.80) ROR1CSF1RABL1
SCHEMBL30987898 0.82 ROR1 (0.85) ROR1CSF1RABL1
SCHEMBL30987869 0.82 ROR1 (1.00) ROR1CSF1RABL1
SCHEMBL12682241 0.82 ROR1 (0.72) ROR1CSF1RABL1

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
CN-118406057-A 4-Methylbenzamide compound and application thereof 四川大学 2024-07-30 CN disclosed