SCHEMBL29019546

SCHEMBL29019546

Nc1ncnc2c1c(-c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)nn2C1CCN(C2CCN(C3CN(C(=O)O)C3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.60
▸ EGFR P00533 7/20 0.60
▸ ITK Q08881 3/20 0.60
▸ LCK P06239 3/20 0.59
▸ SRC P12931 2/20 0.59
▸ KDR P35968 2/20 0.59
▸ TEK Q02763 1/20 0.59
▸ NUDT14 O95848 2/20 0.58
▸ NUDT5 Q9UKK9 2/20 0.58
▸ TEC P42680 3/20 0.57
▸ BMX P51813 3/20 0.57
▸ LYN P07948 3/20 0.57
▸ TXK P42681 2/20 0.57
▸ FGFR2 P21802 2/20 0.57
▸ BLK P51451 2/20 0.57
▸ RIPK2 O43353 1/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ SLC22A3 O75751 1/20 0.57
▸ LATS1 O95835 1/20 0.57
▸ ABL1 P00519 1/20 0.57

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
SCHEMBL29019597 0.95 BTK (0.64) BTKEGFRITKLCKSRC
SCHEMBL29019580 0.92 BTK (0.68) BTKEGFRITKLCKSRC
SCHEMBL29439137 0.91 BTK (0.72) BTKEGFRITKLCKSRC
SCHEMBL24196846 0.90 EGFR (0.59) BTKEGFRITKLCKSRC
SCHEMBL30331446 0.90 EGFR (0.59) BTKEGFRITKLCKSRC
SCHEMBL29439099 0.90 BTK (0.73) BTKEGFRITKLCKSRC
SCHEMBL29069290 0.90 BTK (0.73) BTKEGFRITKLCKSRC
SCHEMBL29439343 0.90 BTK (0.70) BTKEGFRITKLCKSRC
SCHEMBL29439221 0.89 BTK (0.71) BTKEGFRITKLCKSRC
SCHEMBL29439079 0.89 BTK (0.71) BTKEGFRITKLCKSRC

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
CN-116134028-A Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-05-16 — — CN disclosed
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