SCHEMBL31169611

SCHEMBL31169611

Cc1c(NC(=O)N2CC(OC(C)C)C2)cc(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.44
▸ HDAC2 Q92769 10/20 0.38
▸ HDAC1 Q13547 4/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31
▸ NTRK2 Q16620 1/20 0.31

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
SCHEMBL25176333 1.00 BTK (0.44) BTKHDAC2HDAC1GRIN2BMAPK1
SCHEMBL21408909 0.83 HDAC2 (0.36) BTKHDAC2HDAC1GRIN2BNTRK1
SCHEMBL21408845 0.83 HDAC2 (0.36) BTKHDAC2HDAC1GRIN2BNTRK1
SCHEMBL21408852 0.83 HDAC2 (0.36) BTKHDAC2HDAC1GRIN2BNTRK1
SCHEMBL21408900 0.83 HDAC2 (0.36) BTKHDAC2HDAC1GRIN2BNTRK1
SCHEMBL27003888 0.79 HDAC2 (0.34) BTKHDAC2HDAC1
SCHEMBL17770661 0.76 CXCR2 (0.34) BTK
SCHEMBL13765546 0.75 RBP4 (0.38) BTKGRIN2BKDM4E
SCHEMBL23120602 0.74 S1PR2 (0.34) HDAC2HDAC1MAPK1KDM4E
SCHEMBL27426152 0.74 HDAC2 (0.34) BTKHDAC2HDAC1

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-4428130-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF Ubix Therapeutics, Inc. (KR) 2024-09-11 — — EP disclosed
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