SCHEMBL22230468

SCHEMBL22230468

CC1(O)CCC(n2nc(-c3ccc(Oc4ccc(F)cc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.59
▸ LCK P06239 3/20 0.59
▸ LYN P07948 1/20 0.59
▸ EGFR P00533 6/20 0.58
▸ NUDT14 O95848 1/20 0.58
▸ NUDT5 Q9UKK9 1/20 0.58
▸ KDR P35968 2/20 0.56
▸ SRC P12931 1/20 0.56
▸ TEK Q02763 1/20 0.56
▸ RET P07949 1/20 0.56
▸ ITK Q08881 1/20 0.51
▸ BLK P51451 1/20 0.50

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
SCHEMBL22230580 0.94 BTK (0.63) BTKLCKLYNEGFRNUDT14
SCHEMBL22243264 0.94 BTK (0.63) BTKLCKLYNEGFRNUDT14
SCHEMBL22243263 0.94 BTK (0.63) BTKLCKLYNEGFRNUDT14
SCHEMBL22243326 0.92 BTK (0.71) BTKLCKLYNEGFRNUDT14
SCHEMBL22243327 0.86 BTK (0.74) BTKLCKLYNEGFRNUDT14
SCHEMBL29441901 0.86 BTK (0.74) BTKLCKLYNEGFRNUDT14
SCHEMBL22243309 0.86 BTK (0.74) BTKLCKLYNEGFRNUDT14
SCHEMBL29441898 0.86 BTK (0.74) BTKLCKLYNEGFRNUDT14
SCHEMBL24041260 0.86 BTK (0.76) BTKLCKLYNEGFRNUDT14
SCHEMBL22243245 0.86 BTK (0.76) BTKLCKLYNEGFRNUDT14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454268-B Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-09-08 — — CN disclosed
CN-116589465-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-08-15 — — CN disclosed
CN-113710671-B Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-04-28 — — CN disclosed
CN-113710671-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2021-11-26 — — CN disclosed
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 — — EP disclosed
CN-111454268-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2020-07-28 — — CN disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 — — WO disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 — — WO disclosed
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