SCHEMBL29709486

SCHEMBL29709486

Cc1c(NC(=O)c2nccs2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.43
SNCA P37840 1/20 0.42
LIPE Q05469 6/20 0.41
GRM4 Q14833 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
STK33 Q9BYT3 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PTPN11 Q06124 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
SCHEMBL16337053 1.00 BTK (0.43) BTKSNCALIPEGRM4CD274
SCHEMBL16320402 0.83 POLB (0.40) LIPE
SCHEMBL21356707 0.82 GRM4 (0.40) BTKSNCAGRM4STK33CASP3
SCHEMBL16339752 0.82 GRM5 (0.40) LIPE
SCHEMBL19897452 0.80 LIPE (0.41) LIPECD274
SCHEMBL23518565 0.79 KMT2A (0.44) LIPEGRM4
SCHEMBL21621000 0.78 NPC1 (0.59) BTKSNCAGRM4CASP3SENP8
SCHEMBL20293692 0.78 LIPE (0.39) BTKLIPE
SCHEMBL16336876 0.78 GRM4 (0.45) BTKGRM4CASP3SENP8SENP7
SCHEMBL29709512 0.78 GRM4 (0.45) BTKGRM4CASP3SENP8SENP7

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
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed