SCHEMBL23816135

SCHEMBL23816135

Cc1cc(C(=N)c2cc(-c3ccc(C4(O)CCN(C(=O)OC(C)(C)C)CC4)cc3)cnc2NC2CCCCO2)ccc1[C@@H](C)NC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.33
▸ P2RX3 P56373 3/20 0.31
▸ P2RX2 Q9UBL9 3/20 0.31
▸ GPR119 Q8TDV5 4/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ SYK P43405 1/20 0.30

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
SCHEMBL26109545 0.80 KRAS (0.34) BTKHDAC4SYK
SCHEMBL30064070 0.80 KRAS (0.34) BTKHDAC4SYK
SCHEMBL26109541 0.80 KRAS (0.34) BTKHDAC4SYK
SCHEMBL26110984 0.71 KRAS (0.33) BTKGPR119HDAC4
SCHEMBL30063513 0.71 KRAS (0.33) BTKGPR119HDAC4
SCHEMBL23816067 0.71 KRAS (0.33) BTKGPR119HDAC4
SCHEMBL25670262 0.69 KIT (0.39) BTK
SCHEMBL23816316 0.68 BTK (0.38) BTKSYK
Hydrochloric Acid SCHEMBL30064702 0.68 BTK (0.38) BTKSYK
Hydrochloric Acid SCHEMBL26114064 0.68 BTK (0.38) BTKSYK

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-2021180103-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-09-16 — — WO disclosed
Send feedback