SCHEMBL13966176

SCHEMBL13966176

Cc1cncc2c(NC(=O)c3cccnc3)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.56
ALOX15 P16050 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MAPT P10636 1/20 0.55
KDM4E B2RXH2 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
RAB9A P51151 1/20 0.53
TP53 P04637 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL13966184 0.88 NPC1 (0.59) L3MBTL1HDAC3HDAC1HDAC2MAPT
SCHEMBL4531531 0.84 L3MBTL1 (0.64) L3MBTL1ALDH1A1HTTALOX15HDAC3
SCHEMBL28677805 0.81 ALDH1A1 (0.78) L3MBTL1ALDH1A1HTTALOX15HDAC3
SCHEMBL23565700 0.80 ROCK2 (0.62) L3MBTL1ALDH1A1HTTALOX15HDAC3
SCHEMBL2330387 0.80 ALDH1A1 (0.73) L3MBTL1ALDH1A1HTTALOX15HDAC3
SCHEMBL6378760 0.76 HTT (0.66) L3MBTL1ALDH1A1HTTALOX15HDAC3
SCHEMBL10473593 0.76 RAB9A (0.62) L3MBTL1ALDH1A1HTTALOX15HDAC1
SCHEMBL21870357 0.76 HDAC3 (0.62) L3MBTL1ALDH1A1HTTALOX15HDAC3
SCHEMBL27830592 0.75 LMNA (0.56) L3MBTL1ALDH1A1HTTALOX15HDAC3
SCHEMBL2418750 0.75 ALDH1A1 (0.62) L3MBTL1ALDH1A1HTTALOX15HDAC3

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
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed