SCHEMBL19353359

SCHEMBL19353359

Bc1nn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2ncncc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.42
▸ EGFR P00533 2/20 0.41
▸ ITK Q08881 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ PIK3CD O00329 4/20 0.40
▸ PIK3R2 O00459 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PIK3R5 Q8WYR1 1/20 0.40
▸ PIK3R3 Q92569 1/20 0.40
▸ SRC P12931 2/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ HCAR1 Q9BXC0 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39

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
SCHEMBL28829594 0.89 JAK2 (0.45) BTKEGFRITKCYP3A4PIK3CD
SCHEMBL29760783 0.89 JAK2 (0.45) BTKEGFRITKCYP3A4PIK3CD
SCHEMBL19353358 0.89 JAK2 (0.45) BTKEGFRITKCYP3A4PIK3CD
SCHEMBL19353357 0.81 BTK (0.60) BTKEGFRITKCYP3A4SRC
SCHEMBL28829593 0.81 BTK (0.60) BTKEGFRITKCYP3A4SRC
SCHEMBL29760800 0.81 BTK (0.60) BTKEGFRITKCYP3A4SRC
SCHEMBL14654266 0.81 BTK (0.55) BTKEGFRITKPIK3CDPIK3CA
SCHEMBL2731599 0.78 EGFR (0.67) BTKEGFRITKCYP3A4SRC
SCHEMBL1128489 0.78 EGFR (0.52) BTKEGFRCYP3A4PIK3CDSRC
SCHEMBL18599031 0.76 BTK (0.55) BTKEGFRITKPIK3CDPIK3CA

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
WO-2017156495-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS PHARMACEUTICALS, INC. (US) 2017-09-14 — — WO disclosed
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