SCHEMBL30497632

SCHEMBL30497632

COc1ccc(CNc2nccc3c2c(I)nn3C2CCCN(C(=O)O)C2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ BTK Q06187 5/20 0.41
▸ PDE9A O76083 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL25230106 1.00 KMT2A (0.42) KMT2ABTKPDE9ADPP7MEN1
SCHEMBL21903828 0.91 KMT2A (0.42) KMT2ABTKPDE9ADPP7MEN1
SCHEMBL21903640 0.91 KMT2A (0.42) KMT2ABTKPDE9ADPP7MEN1
SCHEMBL21903644 0.91 KMT2A (0.42) KMT2ABTKPDE9ADPP7MEN1
SCHEMBL25649309 0.91 BTK (0.41) KMT2ABTKPDE9ADPP7SMN1; SMN2
SCHEMBL31125791 0.91 BTK (0.41) KMT2ABTKPDE9ADPP7SMN1; SMN2
SCHEMBL27217920 0.88 ERBB2 (0.44) KMT2ABTKPDE9A
SCHEMBL21903785 0.87 BTK (0.52) BTK
SCHEMBL21903789 0.87 BTK (0.52) BTK
SCHEMBL24651144 0.85 NPC1 (0.43) KMT2APDE9AMEN1TSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448523-A1 MACROCYCLIC BTK INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 — — EP disclosed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
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