SCHEMBL30353041

SCHEMBL30353041

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(CCCCl)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.71
▸ LYN P07948 3/20 0.70
▸ LCK P06239 2/20 0.70
▸ NUDT14 O95848 2/20 0.66
▸ NUDT5 Q9UKK9 2/20 0.66
▸ EGFR P00533 3/20 0.64
▸ TEC P42680 3/20 0.64
▸ BMX P51813 3/20 0.64
▸ TXK P42681 2/20 0.64
▸ FGFR2 P21802 2/20 0.64
▸ ITK Q08881 2/20 0.64
▸ FLT3 P36888 2/20 0.64
▸ BLK P51451 2/20 0.64
▸ RIPK2 O43353 1/20 0.64
▸ NR1I2 O75469 1/20 0.64
▸ SLC22A3 O75751 1/20 0.64
▸ LATS1 O95835 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ ERBB2 P04626 1/20 0.64
▸ FYN P06241 1/20 0.64

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
SCHEMBL16078937 0.90 BTK (0.73) BTKLYNLCKNUDT14NUDT5
SCHEMBL16075647 0.90 BTK (0.73) BTKLYNLCKNUDT14NUDT5
SCHEMBL23226086 0.89 BTK (0.74) BTKLYNLCKNUDT14NUDT5
SCHEMBL23226083 0.89 BTK (0.74) BTKLYNLCKNUDT14NUDT5
SCHEMBL28476183 0.88 BTK (0.69) BTKLYNLCKNUDT14NUDT5
SCHEMBL28900520 0.87 BTK (0.68) BTKLYNLCKNUDT14NUDT5
SCHEMBL19649363 0.87 BTK (0.75) BTKLYNLCKNUDT14NUDT5
SCHEMBL28409758 0.86 BTK (0.78) BTKLYNLCKNUDT14NUDT5
SCHEMBL28409697 0.86 BTK (0.78) BTKLYNLCKNUDT14NUDT5
SCHEMBL28409686 0.86 BTK (0.78) BTKLYNLCKNUDT14NUDT5

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-116023397-A Preparation method of ibrutinib dimer impurity 深圳振强生物技术有限公司 2023-04-28 — — CN disclosed
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