SCHEMBL27345425

SCHEMBL27345425

Nc1ncc2nc(O)cnc2n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ PIK3CG P48736 4/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.34
▸ FGFR1 P11362 3/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ DHFR P00374 1/20 0.33

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
SCHEMBL30175533 0.71 ADORA2A (0.45) ALDH1A1RXFP1FGFR1SRC
SCHEMBL2009621 0.71 ADORA2A (0.45) ALDH1A1RXFP1FGFR1SRC
SCHEMBL25449339 0.71 ALDH1A1 (0.35) ALDH1A1FGFR1SRCDHFR
SCHEMBL25279739 0.71 ALDH1A1 (0.35) ALDH1A1FGFR1
Bromide SCHEMBL29767055 0.70 ADORA2A (0.43) ALDH1A1RXFP1FGFR1SRC
SCHEMBL9515132 0.70 ALDH1A1 (0.41) ALDH1A1RXFP1FGFR1
Xanthopterin SCHEMBL906220 0.69 PIK3CG (0.46) PIK3CGPIK3CAPIK3CBHDAC6DHFR
SCHEMBL30112896 0.69 CLK1 (0.43) ALDH1A1
SCHEMBL11222544 0.68 TLR9 (0.53) ALDH1A1HDAC6
SCHEMBL27596415 0.68 PDE10A (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104127802-A Traditional Chinese medicine preparation for treating rheumatoid arthritis LIU XUEQIN 2014-11-05 — — CN disclosed
CN-104083620-A Traditional Chinese medicine preparation for treating deficiency-cold physique FENG ZHENJIANG 2014-10-08 — — CN disclosed
CN-101274089-A Brain tonic and hair care formulation for preventing alopecia, restoring hair and nourishing hair GUANGZHOU MINGWANG TRADING CO (CN) 2008-10-01 — — CN disclosed
CN-101269207-A Brain tonic hair care formula for anti-drop, generating hair and nourishing hair CHUANGUAN HUANG (CN) 2008-09-24 — — CN disclosed
CN-1042395-C Queen ant extrat oral liquid and its preparation method KANGFU PHARMACEUTICAL CO LTD J (CN) 1999-03-10 — — CN disclosed
CN-1091312-A Queen ant extrat oral liquid and preparation method thereof KANGFU PHARMACEUTICAL CO LTD J (CN) 1994-08-31 — — CN disclosed
CN-1067377-A Formica fusca extract and preparation thereof WEN YUANKAI (CN) 1992-12-30 — — CN disclosed
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