SCHEMBL28623986

SCHEMBL28623986

C[C@H](NC(=O)O)c1nc(Br)c2c(N)nccn12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.42
▸ TEC P42680 9/20 0.42
▸ TXK P42681 9/20 0.42
▸ BMX P51813 9/20 0.42
▸ EGFR P00533 5/20 0.42
▸ ITK Q08881 4/20 0.42
▸ TNK2 Q07912 4/20 0.38
▸ RET P07949 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FPR2 P25090 2/20 0.35

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
SCHEMBL14636369 1.00 BTK (0.42) BTKTECTXKBMXEGFR
SCHEMBL20550584 0.81 ATM (0.47) BTKTNK2
SCHEMBL18849915 0.81 ATM (0.47) BTKTNK2
SCHEMBL14636998 0.80 BTK (0.41) BTKTECTXKBMXEGFR
SCHEMBL18099733 0.80 ABL1 (0.53) BTKTNK2RETKDRABL1
SCHEMBL18849914 0.78 ABL1 (0.43) BTKTNK2RETKDRABL1
SCHEMBL18849916 0.78 ABL1 (0.43) BTKTNK2RETKDRABL1
SCHEMBL17800128 0.78 BTK (0.38) BTKTECTXKBMXEGFR
SCHEMBL17800127 0.78 BTK (0.38) BTKTECTXKBMXEGFR
SCHEMBL14637032 0.74 BTK (0.41) BTKEGFRTNK2RETKDR

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-108602827-B Imidazopyrazine inhibitors of Bruton's tyrosine kinase 安塞塔制药公司 2021-08-20 — — CN disclosed
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