SCHEMBL29439221

SCHEMBL29439221

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C2CN(C3CN(C(=O)O)C3)C2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.71
▸ EGFR P00533 5/20 0.71
▸ NUDT14 O95848 2/20 0.69
▸ NUDT5 Q9UKK9 2/20 0.69
▸ LCK P06239 4/20 0.68
▸ LYN P07948 3/20 0.68
▸ SRC P12931 2/20 0.67
▸ KDR P35968 2/20 0.67
▸ TEK Q02763 1/20 0.67
▸ TEC P42680 3/20 0.67
▸ BMX P51813 3/20 0.67
▸ ITK Q08881 3/20 0.67
▸ TXK P42681 2/20 0.67
▸ FGFR2 P21802 2/20 0.67
▸ BLK P51451 2/20 0.67
▸ RIPK2 O43353 1/20 0.67
▸ NR1I2 O75469 1/20 0.67
▸ SLC22A3 O75751 1/20 0.67
▸ LATS1 O95835 1/20 0.67
▸ ABL1 P00519 1/20 0.67

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
SCHEMBL29439079 1.00 BTK (0.71) BTKEGFRNUDT14NUDT5LCK
SCHEMBL29439343 0.99 BTK (0.70) BTKEGFRNUDT14NUDT5LCK
SCHEMBL29069290 0.98 BTK (0.73) BTKEGFRNUDT14NUDT5LCK
SCHEMBL29439099 0.98 BTK (0.73) BTKEGFRNUDT14NUDT5LCK
SCHEMBL29439224 0.97 BTK (0.70) BTKEGFRNUDT14NUDT5LCK
SCHEMBL29439137 0.97 BTK (0.72) BTKEGFRNUDT14NUDT5LCK
SCHEMBL29439151 0.96 BTK (0.72) BTKEGFRNUDT14NUDT5LCK
SCHEMBL29439152 0.96 BTK (0.72) BTKEGFRNUDT14NUDT5LCK
SCHEMBL28698372 0.96 BTK (0.74) BTKEGFRNUDT14NUDT5LCK
SCHEMBL22720924 0.94 BTK (0.67) BTKEGFRNUDT14NUDT5LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978496-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2022-04-06 — — EP disclosed
WO-2022052950-A1 SALT OF COMPOUND FOR DEGRADING BTK, CRYSTAL FORM THEREOF, AND USE THEREOF IN MEDICINE 海思科医药集团股份有限公司 2022-03-17 — — WO disclosed
Send feedback