SCHEMBL30332193

SCHEMBL30332193

CC(C)(O)c1cn(-c2ccccc2CN)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ NCF1 P14598 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.33
▸ TPH1 P17752 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 0.30

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
SCHEMBL16793052 0.77 TPH1 (0.42) CPB1CPB2NCF1TPH1
SCHEMBL30607719 0.77 NCF1 (0.36) NCF1
SCHEMBL30332311 0.74 CYP1A2 (0.46) NCF1
SCHEMBL30332384 0.72 HCRTR1 (0.35) NCF1TPH1F2F10HCRTR1
SCHEMBL21486445 0.72 HCRTR1 (0.35) NCF1TPH1F2F10HCRTR1
SCHEMBL30607575 0.71 KMT2A (0.37) NCF1HCAR1ALDH1A1LMNAHPGD
SCHEMBL30332432 0.71 HCRTR1 (0.39) NCF1F2F10HCRTR1HCRTR2
SCHEMBL30607571 0.70 F10 (0.40) NCF1F2F10ALDH1A1HPGD
SCHEMBL5855702 0.69 NCF1 (0.41) NCF1
SCHEMBL30332392 0.69 HCRTR1 (0.38) NCF1F2F10HCRTR1HCRTR2

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-2023046128-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-30 — — WO disclosed
Send feedback