SCHEMBL17166226

SCHEMBL17166226

COc1ccc(-n2nc(C(C)(C)C)cc2C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.41
MAPT P10636 1/20 0.41
PTK2B Q14289 2/20 0.40
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARA Q07869 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL17166225 0.83 UBE2T (0.42) UBE2TMAPK14MAPK13MAPK12MAPK11
SCHEMBL17166010 0.82 MAPK14 (0.38) PTK2BMAPK14MAPK13MAPK12MAPK11
SCHEMBL15887795 0.79 MAPK14 (0.52) MAPTPTK2BMAPK14MAPK13MAPK12
SCHEMBL9910330 0.71 PTK2B (0.45) PTK2BMAPK14MAPK13MAPK12MAPK11
SCHEMBL14648636 0.71 LMNA (0.63) UBE2TSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10220768 0.70 CA12 (0.42) MAPTLMNA
SCHEMBL2269126 0.70 ALDH1A1 (0.51) MAPTSMN1; SMN2TDP1RECQLRAB9A
SCHEMBL30309516 0.70 ALDH1A1 (0.51) MAPTSMN1; SMN2TDP1RECQLRAB9A
SCHEMBL12335148 0.68 NPC1 (0.42) UBE2TMAPTMAPK14SMN1; SMN2TDP1
SCHEMBL15887794 0.68 NR1I2 (0.45) MAPTMAPK14MAPK13MAPK12MAPK11

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-9155737-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-10-13 US disclosed