Sugi Predict

Sugi Predict / Compounds / SCHEMBL24121744

SCHEMBL24121744

SCHEMBL24121744

Cc1nc(O)c2[nH]ncc2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ MAPT P10636 1/20 0.35
▸ SLC2A1 P11166 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ FGFR1 P11362 1/20 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
SCHEMBL8423993 0.98 HTT (0.42) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL3320036 0.79 PTK2 (0.38) HTTPTK2FGFR1
SCHEMBL20674123 0.79 HTT (0.47) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL19661001 0.76 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL23889355 0.76 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL4838398 0.76 NOS1 (0.37) HTTPTK2
SCHEMBL6850410 0.74 HTT (0.47) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL22268064 0.73 HTT (0.41) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL21958684 0.72 HTT (0.44) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL23703901 0.72 PTK2 (0.33) HTTPTK2ALDH1A1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768764-A Fused ring compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2023-03-07 — — CN disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 — — WO disclosed
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