SCHEMBL30165660

SCHEMBL30165660

Cc1cc(Nc2ccc(NC(=O)c3cn(C(=O)OC(C)(C)C)c4ccccc34)cc2)nc(N2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 6/20 0.43
▸ CDK2 P24941 6/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GALR2 O43603 3/20 0.40
▸ GALR1 P47211 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KIF18A Q8NI77 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ USP2 O75604 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
SCHEMBL23867526 0.85 CCNE1 (0.48) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL30234364 0.85 CCNE1 (0.48) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL30234817 0.79 LMNA (0.52) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL23867488 0.78 LMNA (0.42) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL30165658 0.76 HRH3 (0.53) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL23859943 0.76 HRH3 (0.53) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL30234371 0.73 ROCK1 (0.46) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL18063521 0.72 MAPT (0.58) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL20042175 0.71 CCNE1 (0.55) CCNE1CDK2LMNAKDM4EALDH1A1
SCHEMBL18153288 0.71 CCNE1 (0.58) CCNE1CDK2LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118338898-A Small molecule inhibitors of oncogenic CHD1L with preclinical anti-colorectal cancer activity 科罗拉多州立大学董事会(法人团体) 2024-07-12 — — CN disclosed
WO-2023055763-A2 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTRAL CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-04-06 — — WO disclosed
EP-4127209-A2 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-02-08 — — EP disclosed
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