SCHEMBL20038254

SCHEMBL20038254

Cc1ccc(N2CCCC(CO)CC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ PTGER4 P35408 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KHK P50053 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ OGA O60502 1/20 0.36

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
SCHEMBL9195108 0.94 PDE10A (0.44) PDE10APIK3CAMTORCDK4CDK6
SCHEMBL18291297 0.85 PTGER4 (0.46) PDE10AMAP4K4PIK3CAMTORPTGER4
SCHEMBL1562375 0.82 MAPT (0.43) PDE10APIK3CAMTORLMNAHTT
SCHEMBL9195135 0.82 MAP4K4 (0.40) MAP4K4PIK3CAMTORPTGER4KHK
SCHEMBL25059012 0.80 SMN1; SMN2 (0.41) CYP1A2LMNAHTTMEN1KMT2A
SCHEMBL18291295 0.80 NR1I2 (0.46) PDE10APTGER4KMT2AOGA
SCHEMBL9197797 0.79 CYP11B2 (0.48) PIK3CAMTORCDK4LMNAHTT
SCHEMBL30561625 0.79 CYP1A2 (0.57) CYP1A2HTTSMN1; SMN2OGA
SCHEMBL13750688 0.79 CYP1A2 (0.57) CYP1A2HTTSMN1; SMN2OGA
SCHEMBL15317040 0.79 CYP1A2 (0.52) CYP1A2LMNAHTTSMN1; SMN2OGA

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP disclosed
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