SCHEMBL30987915

SCHEMBL30987915

Cc1ccc(C(=O)Nc2ccc3cccnc3c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 7/20 0.75
CSF1R P07333 2/20 0.70
ABL1 P00519 10/20 0.70
KCNH2 Q12809 4/20 0.61
CYP3A4 P08684 3/20 0.61
FGFR1 P11362 2/20 0.60
FGFR2 P21802 2/20 0.60
FGFR4 P22455 2/20 0.60
FGFR3 P22607 2/20 0.60
GAK O14976 1/20 0.60
MLNR O43193 1/20 0.60
RIPK2 O43353 1/20 0.60
JAK2 O60674 1/20 0.60
NR1I2 O75469 1/20 0.60
ABCB11 O95342 1/20 0.60
MAP4K4 O95819 1/20 0.60
EGFR P00533 1/20 0.60
NR3C1 P04150 1/20 0.60
ERBB2 P04626 1/20 0.60
NTRK1 P04629 1/20 0.60

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
SCHEMBL30987894 0.86 ROR1 (0.81) ROR1CSF1RABL1KCNH2CYP3A4
SCHEMBL19317721 0.86 ROR1 (0.79) ROR1CSF1RABL1KCNH2CYP3A4
SCHEMBL16644466 0.86 CSF1R (0.75) ROR1CSF1RABL1KCNH2CYP3A4
SCHEMBL30987917 0.86 ROR1 (1.00) ROR1CSF1RABL1
SCHEMBL16250614 0.84 ABL1 (0.80) ROR1CSF1RABL1KCNH2CYP3A4
SCHEMBL22559451 0.84 CSF1R (0.70) ROR1CSF1RABL1KCNH2CYP3A4
SCHEMBL16640183 0.84 ROR1 (0.94) ROR1CSF1RABL1ABL2
SCHEMBL12682241 0.84 ROR1 (0.72) ROR1CSF1RABL1KCNH2CYP3A4
SCHEMBL30987922 0.84 ROR1 (0.69) ROR1CSF1RABL1KCNH2CYP3A4
SCHEMBL16644461 0.83 ABL1 (0.84) ROR1CSF1RABL1KCNH2CYP3A4

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