SCHEMBL23533701

SCHEMBL23533701

[2H]C([2H])([2H])N1CCN(C2CCN(c3ccc(N)c(OC)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.43
INSR P06213 12/20 0.43
IGF1R P08069 12/20 0.43
EGFR P00533 4/20 0.41
PTK2 Q05397 3/20 0.41
EML4 Q9HC35 3/20 0.41
STK10 O94804 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
FES P07332 2/20 0.41
YES1 P07947 2/20 0.41
HCK P08631 2/20 0.41
ROS1 P08922 2/20 0.41
FER P16591 2/20 0.41
LTK P29376 2/20 0.41
FLT3 P36888 2/20 0.41
FRK P42685 2/20 0.41
BTK Q06187 2/20 0.41
CAMK2G Q13555 2/20 0.41

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
SCHEMBL517468 0.91 ALK (0.50) ALKINSRIGF1REGFRPTK2
SCHEMBL10205071 0.90 L3MBTL3 (0.46) ALKINSRIGF1RPTK2L3MBTL3
SCHEMBL520521 0.87 ALK (0.48) ALKINSRIGF1REGFRPTK2
SCHEMBL519761 0.86 ALDH1A1 (0.50) ALKINSRIGF1REGFRPTK2
SCHEMBL29517345 0.86 ALDH1A1 (0.50) ALKINSRIGF1REGFRPTK2
SCHEMBL520836 0.86 L3MBTL1 (0.57) ALKINSRIGF1REGFRL3MBTL3
SCHEMBL10206202 0.86 L3MBTL3 (0.53) ALKINSRIGF1REGFRL3MBTL3
SCHEMBL30340719 0.86 KHK (0.46) KHK
SCHEMBL309548 0.85 L3MBTL1 (0.55) ABL1L3MBTL3L3MBTL1HRH3
SCHEMBL13981638 0.85 L3MBTL1 (0.55) ABL1L3MBTL3L3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829352-B Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2024-05-31 CN disclosed
EP-4079730-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Oncobix Co., Ltd. (KR) 2022-10-26 EP disclosed
CN-114829352-A Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2022-07-29 CN disclosed
WO-2021125758-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 온코빅스 2021-06-24 WO disclosed