SCHEMBL11412801

SCHEMBL11412801

C=CCNc1nc(CC=C)ncc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.46
▸ ALDH1A1 P00352 6/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL10696235 0.75 TP53 (0.57) HPGDALDH1A1L3MBTL1KDM4ETP53
SCHEMBL11160504 0.75 KDM4E (0.50) HPGDALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL9432628 0.68 RAB9A (0.50) HPGDALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL10824003 0.67 KDM4E (0.42) ALDH1A1L3MBTL1KDM4ELMNATP53
SCHEMBL10566676 0.65 HPGD (0.33) HPGDTP53
SCHEMBL15661369 0.64 SRC (0.42) HTT
SCHEMBL4763576 0.64 CSNK1A1 (0.44) HPGDALDH1A1L3MBTL1TP53MEN1
SCHEMBL6864300 0.62 PGK1 (0.45) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL10749903 0.61 TGFBR1 (0.39) HPGDALDH1A1L3MBTL1TDP1MEN1
SCHEMBL9619229 0.61 GAA (0.44) ALDH1A1LMNASMN1; SMN2MAPTMEN1

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
US-4245094-A 5-Amino-2,8-dialkyl-7,8-dihydro-7-oxo-pyrido-[2,3-d]pyrimidine-6 carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 — — US disclosed
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