SCHEMBL27801461

SCHEMBL27801461

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C=C[SH](=O)=O)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.72
▸ LYN P07948 3/20 0.72
▸ LCK P06239 3/20 0.72
▸ EGFR P00533 4/20 0.70
▸ TEC P42680 3/20 0.70
▸ BMX P51813 3/20 0.70
▸ ITK Q08881 3/20 0.70
▸ TXK P42681 2/20 0.70
▸ FGFR2 P21802 2/20 0.70
▸ BLK P51451 2/20 0.70
▸ RIPK2 O43353 1/20 0.70
▸ NR1I2 O75469 1/20 0.70
▸ SLC22A3 O75751 1/20 0.70
▸ LATS1 O95835 1/20 0.70
▸ NUDT14 O95848 1/20 0.70
▸ ABL1 P00519 1/20 0.70
▸ ERBB2 P04626 1/20 0.70
▸ FYN P06241 1/20 0.70
▸ PGR P06401 1/20 0.70
▸ CSF1R P07333 1/20 0.70

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
SCHEMBL16798569 0.90 BTK (0.72) BTKLYNLCKEGFRTEC
SCHEMBL17458820 0.90 BTK (0.72) BTKLYNLCKEGFRTEC
SCHEMBL16075646 0.89 BTK (0.77) BTKLYNLCKEGFRTEC
SCHEMBL4910818 0.89 BTK (0.79) BTKLYNLCKEGFRTEC
SCHEMBL28519811 0.88 BTK (0.74) BTKLYNLCKEGFRTEC
SCHEMBL21898176 0.86 BTK (0.80) BTKLYNLCKEGFRTEC
SCHEMBL18608117 0.86 BTK (0.80) BTKLYNLCKEGFRTEC
SCHEMBL25068925 0.85 BTK (0.80) BTKLYNLCKEGFRTEC
SCHEMBL18235474 0.85 BTK (0.78) BTKLYNLCKEGFRTEC
SCHEMBL22737178 0.85 BTK (0.80) BTKLYNLCKEGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110801454-A Use of Bruton's Tyrosine Kinase (BTK) inhibitors 药品循环有限责任公司 2020-02-18 — — CN disclosed
CN-104039325-A Use of Bruton's Tyrosine Kinase (BTK) inhibitors PHARMACYCLICS INC 2014-09-10 — — CN disclosed
CN-101674834-B Bruton's tyrosine kinase inhibitor PHARMACYCLICS INC 2013-06-12 — — CN disclosed
CN-103153311-A Use of Bruton's Tyrosine Kinase (BTK) Inhibitors PHARMACYCLICS INC 2013-06-12 — — CN disclosed
CN-101674834-A Bruton's tyrosine kinase inhibitor PHARMACYCLICS INC 2010-03-17 — — CN disclosed
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