SCHEMBL24491379

SCHEMBL24491379

O=C(I)c1ccc(C#Cc2cnc3cccnn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.49
ROR1 Q01973 4/20 0.46
ABL1 P00519 15/20 0.45
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL27897224 0.90 CSF1R (0.47) CSF1RROR1ABL1
SCHEMBL10207631 0.82 MKNK1 (0.44) CSF1RROR1ABL1
SCHEMBL17471695 0.79 ABL1 (0.53) CSF1RROR1ABL1
SCHEMBL16201026 0.78 ABL1 (0.53) CSF1RROR1ABL1
SCHEMBL22369939 0.75 MKNK1 (0.46) CSF1RROR1ABL1
SCHEMBL17471694 0.75 ABL1 (0.53) CSF1RROR1ABL1
SCHEMBL15096062 0.73 ROR1 (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL29506341 0.73 CSF1R (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL22243490 0.72 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL29493472 0.72 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2

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-2022120118-A1 NOVEL RIPK1 KINASE TARGETING PROTACS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2022-06-09 WO disclosed